[gmx-users] High Initial generated Temp

tarak karmakar tarak20489 at gmail.com
Tue Jun 4 14:07:29 CEST 2013

Dear All,

Although I have set gen_temp = 300, it is showing the initial temperature
445.7 K, generated at the very beginning  of the run.

gen_vel                 = yes             ; velocity generation
gen_temp                = 300
gen_seed                = 93873959697

Is it because of a bad geometry? In mailing list I came across this thread
[ http://comments.gmane.org/gmane.science.biology.gromacs.user/41931]
Prior to this production run, I heated my system slowly from 0 K to 300 K
within 300 ps time span.
It would be very helpful if someone suggests me the way to deal with this


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