[gmx-users] the target temperature
qsun at ucdavis.edu
Tue Apr 6 22:23:01 CEST 2004
Hi all the Gromacs users:
I am a beginning of Gromacs and did some research on YASP before. My
system is about pure Cyclohexane right now. total 674 molecules. There
are two problems:
1. gen_vel is set to yes, and gen_temp is set to 325K. after I start
even 1 number of step at dt (0.00000002). The temperature still starts
from 4000~8000K high. I don't know what is going on.
2. Attached is my topology file, can somebody have a look and see if the
topology file is wrong.
Thank you so much.
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