[gmx-users] Umberella sampling
ramezanpour.mohsen at gmail.com
Sun May 8 08:01:30 CEST 2011
Regarding doing umbrella sampling:
I used gen_vel =no
and I prefer to use from thermodynamics of system in NPT.cpt
Although the T and P were as I did set in NPT.mdp file (T=310 ,P=1 bar)
But their values in my umbrela.log files are not as before (for example
Where did I wrong?
thanks in advance for your guidance
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