Project: 7028 (Run 3, Clone 20, Gen 25)
Posted: Fri Sep 02, 2011 8:58 am
Project: 7028 (Run 3, Clone 20, Gen 25)
[05:22:33] Completed 100000 out of 10000000 steps (1%)
Step 250184259, time 1.25092e+06 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.000261, max 0.001505 (between atoms 200 and 201)
bonds that rotated more than 30 degrees:
atom 1 atom 2 antle previous, current, constraint length
200 201 31.2 0.0959 0.0961 0.0960
Step 250184259, time 1.25092e+06 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.000125, max 0.001508 (between atoms 197 and 201)
bonds that rotated more than 30 degrees:
atom 1 atom 2 antle previous, current, constraint length
200 201 31.6 0.0959 0.0960 0.0960
[05:37:08] Completed 200000 out of 10000000 steps (2%)
[05:22:33] Completed 100000 out of 10000000 steps (1%)
Step 250184259, time 1.25092e+06 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.000261, max 0.001505 (between atoms 200 and 201)
bonds that rotated more than 30 degrees:
atom 1 atom 2 antle previous, current, constraint length
200 201 31.2 0.0959 0.0961 0.0960
Step 250184259, time 1.25092e+06 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.000125, max 0.001508 (between atoms 197 and 201)
bonds that rotated more than 30 degrees:
atom 1 atom 2 antle previous, current, constraint length
200 201 31.6 0.0959 0.0960 0.0960
[05:37:08] Completed 200000 out of 10000000 steps (2%)