augie1111
08-16-09, 01:38 PM
Anyone see this one yet?
Step 34075095, time 68150.2 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms inf, max inf (between atoms 17546 and 17547)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
17546 17547 90.0 0.1090 inf 0.1090
17548 17549 90.0 0.1090 inf 0.1090
17548 17550 90.0 0.1090 inf 0.1090
17548 17551 90.0 0.1090 inf 0.1090
17552 17553 90.0 0.1090 inf 0.1090
17552 17554 90.0 0.1090 inf 0.1090
Step 34075095, time 68150.2 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms inf, max inf (between atoms 17546 and 17547)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
17546 17547 90.0 0.1090 inf 0.1090
17548 17549 90.0 0.1090 inf 0.1090
17548 17550 90.0 0.1090 inf 0.1090
17548 17551 90.0 0.1090 inf 0.1090
17552 17553 90.0 0.1090 inf 0.1090
17552 17554 90.0 0.1090 inf 0.1090