From: Hemant Kushwaha (hemant.kushwaha_at_gmail.com)
Date: Mon Feb 07 2005 - 00:17:04 CST
While running NAMD simulation in gas phase we have been facing the
Info: Entering startup phase 8 with 2374 kB of memory in use.
Info: Finished startup with 2639 kB of memory in use.
TCL: Minimizing for 100 steps
ETITLE: TS BOND ANGLE DIHED
IMPRP ELECT VDW BOUNDARY MISC
KINETIC TOTAL TEMP TOTAL2
ENERGY: 0 30.0566 8.6178 -99999999.9999
0.0000 -31.6645 13.8172 0.0000
0.0000 0.0000 -99999999.9999 0.0000
-99999999.9999 -99999999.9999 0.0000
INITIAL STEP: 1e-06
GRADIENT TOLERANCE: nan
We loaded the *.pdb strututre in tinker and found no overlap in atoms.
Can anybody help us in finding out the solution to this problem.
Thanks in advance
Hemant R. Khushwaha
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