[gmx-users] pressure and temperature for lipid,again

Xavier Periole periole at inka.mssm.edu
Mon Feb 24 03:18:26 CET 2003

on 2/23/03 8:59 PM, nanyu101 at nanyu101 at sina.com wrote:

> Dear Xavier Periole,
> Thanks for your patience.I didn't put anything in the lipid.I just want to try
> to minimize the lipid.So,I don't know where the big force come from.Would you
> please give me some mdp file and your methods for making hole in lipid?
> Best wishes,
> Xianhui Wu

In that case you have to check that the size of the box is correct,
correct your pressure bath which is off.
Why do you use position restraints ??
; define              =  -DPOSRES

Correct your time step,
correct your vdW cutoff -> 1.2 nm

And try again !!

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