[gmx-users] modify nsteps in an existing tpr file

Guanglei Cui amber.mail.archive at gmail.com
Tue Sep 17 20:55:23 CEST 2013

Dear GMX users,

I'm new to Gromacs. So apologies if this question is too simple.

I downloaded top/tpr files from the supplementary material of a published
paper. The nsteps set in the tpr file is 100ns. I wish to do a small test
run. Is there any way I can modify that? I've tried to create a mdp file
that best matches the parameters found through gmxdump, but it gives me a
lot of LINCS error. I can upload the mdp file and gmxdump file if you are
kind to help. Thanks in advance.

Best regards,
Guanglei Cui

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