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/[email protected]/msg33566.html, since the mdrun should run simultaneously. Could you give some advice? Thanks. Best, Qin
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