Search found 12 matches

by juanmit
Thu Oct 18, 2018 1:11 pm
Forum: Announcements - Folding Consortium
Topic: Project 14124(GPU, OpenMM21) to BETA
Replies: 1
Views: 1436

Project 14124(GPU, OpenMM21) to BETA

Releasing new OpenMM21 projects to BETA Projects number: p14124 on vav4.ocis.temple.edu These simulations are designed to test our understanding the folding mechanism of alpha-helical hairpins. We are trying to study how disulfide cross-linkers and sequence variants affect the folding thermodynamics...
by juanmit
Tue Mar 06, 2018 2:36 pm
Forum: Announcements - Folding Consortium
Topic: (Openmm21) project p13781-p13783 to FAH
Replies: 0
Views: 1099

(Openmm21) project p13781-p13783 to FAH

these projects (13781-13783) simulate a millisecond folder NTL9(1-39) with different force fields. We are trying to understand how mutations change the folding landscape, the performance of different force fields, and how we can use new methodology to better identify and efficiently sample mutation-...
by juanmit
Fri Feb 23, 2018 5:54 pm
Forum: Announcements - Folding Consortium
Topic: (Openmm21) project p13781-p13783 to ADV
Replies: 0
Views: 1267

(Openmm21) project p13781-p13783 to ADV

Projects number: p13781-13783 on vav3.ocis.temple.edu These projects (13781-13783) simulate a millisecond folder NTL9(1-39) with different force fields. We are trying to understand how mutations change the folding landscape, the performance of different force fields, and how we can use new methodolo...
by juanmit
Sun Oct 15, 2017 11:10 pm
Forum: Announcements - Folding Consortium
Topic: (GRO_A7) projects p13738-p13749 to ADV
Replies: 0
Views: 863

(GRO_A7) projects p13738-p13749 to ADV

Releasing new SMP A7(GRO_A7) projects to ADV Projects number: p13738-13749 on vav3.ocis.temple.edu These projects simulate several mutants of well-studied mini-proteins to understand how mutations change the folding landscape, the performance of different force fields, and how to efficiently sample ...
by juanmit
Tue May 09, 2017 2:51 pm
Forum: Announcements - Folding Consortium
Topic: (GRO_A7) projects p13720-p13732 to FAH
Replies: 0
Views: 1105

(GRO_A7) projects p13720-p13732 to FAH

Releasing new SMP A7(GRO_A7) projects to FAH Projects number: p13720-13732 on vav3.ocis.temple.edu These projects simulate the folding of several mutants of Villin peptide, a 3-helical structured protein that folds on the few microsecond time scale. These projects are similar to p8670-8680. We are t...
by juanmit
Fri May 05, 2017 2:09 pm
Forum: Announcements - Folding Consortium
Topic: (GRO_A7) projects p13720-p13732 to ADV
Replies: 0
Views: 1040

(GRO_A7) projects p13720-p13732 to ADV

Releasing new SMP A7(GRO_A7) projects to ADV Projects number: p13720-13732 on vav3.ocis.temple.edu These projects simulate the folding of several mutants of Villin peptide, a 3-helical structured protein that folds on the few microsecond time scale. These projects are similar to p8670-8680. We are t...
by juanmit
Tue Feb 07, 2017 6:52 pm
Forum: Announcements - Folding Consortium
Topic: Releasing new SMP A4 (GRO_A4) projects p8638-8659 to FAH
Replies: 0
Views: 942

Releasing new SMP A4 (GRO_A4) projects p8638-8659 to FAH

Releasing new SMP A4 (GRO_A4) projects p8638-8659 to Fah. These are being served from vav4.ocis.temple.edu These projects simulate the folding of several mutants of WW domain, a 35-residue beta-sheet protein that folds on the microsecond timescale. We are trying to understand how mutations change th...
by juanmit
Tue Feb 07, 2017 4:01 pm
Forum: Announcements - Folding Consortium
Topic: Releasing new SMP (GRO_A7) projects p8670-8682 to FAH
Replies: 0
Views: 941

Releasing new SMP (GRO_A7) projects p8670-8682 to FAH

Releasing new SMP (GRO_A7) projects p8670-8680 to FAH These are being served from vav3.ocis.temple.edu These projects simulate the folding of several mutants of Villin peptide, a 3-helical structured protein that folds on the few microsecond time scale. We are trying to understand how mutations chan...
by juanmit
Thu Nov 17, 2016 9:22 pm
Forum: CPU Projects - beta FAHCores (Currently _a8)
Topic: Error message only for A7 jobs found fah_work.log
Replies: 8
Views: 21413

Re: Error message only for A7 jobs found fah_work.log

Hi Bruce,

Thanks for your reply.

I will wait a couple of more days to collect more log files to see how often/which cleint etc. to have this error and open a github ticket then .

--Hongbin
by juanmit
Thu Nov 17, 2016 5:05 pm
Forum: CPU Projects - beta FAHCores (Currently _a8)
Topic: Error message only for A7 jobs found fah_work.log
Replies: 8
Views: 21413

Error message only for A7 jobs found fah_work.log

Hi all, We just found out some error message from the log files, but it is only for GRO A7 jobs. We double checked all my finished trajs, and they had no problems. We think the error meaage is caused by Clients. Do we need to worry about it? How to let our Cleint fix it? Thanks. --Hongbin 6:35:50:I2...
by juanmit
Wed Nov 16, 2016 1:51 am
Forum: Announcements - Folding Consortium
Topic: Releasing projects p8670-8682 to ADVANCED
Replies: 0
Views: 1230

Releasing projects p8670-8682 to ADVANCED

Releasing new SMP (GRO_A7) projects p8670-8680 to ADV These are being served from vav3.ocis.temple.edu These projects simulate the folding of several mutants of Villin peptide, a 3-helical structured protein that folds on the few microsecond time scale. We are trying to understand how mutations chan...
by juanmit
Tue Nov 01, 2016 3:29 pm
Forum: Announcements - Folding Consortium
Topic: Releasing projects p8638-p8659 to ADV
Replies: 0
Views: 1252

Releasing projects p8638-p8659 to ADV

Releasing new SMP A4 (GRO_A4) projects p8638-8659 to Adv. These are being served from vav4.ocis.temple.edu These projects simulate the folding of several mutants of WW domain, a 35-residue beta-sheet protein that folds on the microsecond timescale. We are trying to understand how mutations change th...