[gmx-users] Question about Extention simulation in REMD

[Qin Qiao]

Dear Sir or Madam,

I wonder how to continue a REMD running using .cpt file in Gromacs 4.5.1.
Since I ran a REMD of 56 replicas, there are one cpt file for each replica..
I couldn't do it by

tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
mdrun -s next.tpr -cpi previous.cpt


I guess it's not for an iterative line in the answer in
http://www.mail-archive.com/gmx-users@gromacs.org/msg33566.html, since the
mdrun should run simultaneously.

Could you give some advice? Thanks.

Best,

Qin
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