[gmx-users] Extending the REMD

YanhuaOuyang 15901283893 at 163.com
Sun Jun 12 15:22:14 CEST 2016


Dear Gromacs users,

I want to extend my REMD simulation to another 2 ns after a short REMD is completed with Gromacs 5.0.2

my commands:
gmx convert-tpr -s previous.tpr -extend 2000 -o next.tpr
gmx mdrun -s next.tpr -cpi state.cpt -multi 30 -replex 1000 -reseed -1

I wonder if the option “-reseed -1” is needed again when extending the REMD? 
And how about the option: -e .edr, -c .gro, -g .log, are these options necessary?

Best regards,
Ouyang.


More information about the gromacs.org_gmx-users mailing list