CHARMM Development Project
Posted By: vipul_tmr99 Regarding resuming of run - 09/03/18 09:57 PM
Hi. I am trying to run module for GO model of a protein. After finishing the run I realized that the run needs to be extended. I tried to extend it using the same command, without specifying the additional parameters e.g. mdopt etc. -n 1000 -dir gorex

but received error: "Prefix must be specified for Go models at /usr/toolset-master/perl/ line 228"

I am able to resume run using but not in current case.

Please provide suggestions. I will really appreciate it.

P.S. One solution I have in mind where I will need to provide all the final pdb files generated from previous run in the main directory (with GO prefix) and simultaneously provide .param, .top and .seq files with same names. The files will be parsed through -f filename (function). However I was hoping if there were alternate way.

Thanks in advance
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