[gmx-users] the target temperature

Qi Sun 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.

Qi Sun

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