Dear amber users,
I am running a GB simulation of a cyt bulged rna.I
have run the simulation to 1020ps in 6 steps. the rst
file written during the 6th step contains some
asterisk marks and so I could not run the 7th step.
When I deleated the lines which contains these
asterisk marks, the sander reports that the velocity
limit is exceeded for some atoms.The rst file is
attached and the portion of the rst file is shown
below. What may be the problem? How can I avoid it?
302.7039874-184.2375775-360.4247410
303.7298408-184.1419747-361.4213178
371.8875075-134.3744325************
371.1584642-133.7572813************
372.1595619-133.9013809************ 844.9096625
81.1806288 23.3634199
844.0667443 81.3001205 22.8437569 845.4412138
81.8871922 22.9814963
-0.9849900 -0.4603898 1.1188423 0.3352386
0.2888170 0.0935052
0.0724099 0.2361661 -0.1595945 -1.1055550
-0.3351865 -0.7293620
===========================================================================
/\/\athew
Mathew K Varghese
Research Scholar
School of Pure and Applied Physics
M.G.University
Kottayam, Kerala
India
email mathew_kvarghese.yahoo.co.in
===========================================================================
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Received on Mon Apr 11 2005 - 11:53:00 PDT
