[gmx-users] Umbrella Sampling
gozdeeergin at gmail.com
Sun Nov 13 11:16:15 CET 2016
Did you change the number inside the distances.pl script?
If you have 1000 files, you need to change the number of 500 on line 6, 13 , and 36 (lines start with for loop) make them 1000.
> On 13 Nov 2016, at 11:10, Mouri Ahmed <mouriahmedmou at gmail.com> wrote:
> Hi everyone,
> I have run pulling simulation for the protein complex system. I have got
> 1000 configuration files. And in the summary_distances.dat, I have found
> 0-500 distances.
> How will I select configuration file for the npt_umbrella simulation.
> Thanks in advance. I will be very grateful for the help.
> Best Regards
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