[gmx-users] stopping and restarting a simulations after adding more constraints

jayant james jayant.james at gmail.com
Sun Jun 28 20:23:58 CEST 2009

I have been performing a distance restrained simulation for 7ns and now I
feel that its time to throw in a few more distance restraints. So this is
what I am planning to to

1. Stop the simulation .The command would be,  killall mdrun
2. Add the two constraints into the disres.itp
3. use grompp and later the mdrun command.
The question is, Since I am restarting the simulation from 7ns I
shoudn't give gen_vel=Yes.
Am I right?
Jayant James

Jayasundar Jayant James

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