[gmx-users] Local pressure profiles

[David van der Spoel]

Philip Shushkov wrote:
> Dear gmx-users,
> 
> I would like to calculate the local pressure profile of lipid bilayer 
> and that's why I downloaded and installed the gromacs-localp package 
> that was contributed to the gromacs software by Lindahl and Edholm. The 
> problem is that I have already generated the trajectory of the bilayer 
> and I would like to rerun the simulation in order to recalculate the 
> pressure profile. However, the package I have downloaded is an old 
> version of the gromacs software and when I tried to read in the Version 
> 3.3.3 tpb generated with tpbconv from the original  *.tpr file I 
> received the following error:
> 
> Fatal error: reading tpx file (5ns.oneside.pot.restart.tpb) version 40 
> with version 20 program.
> 
> I would like to ask whether there is a way to get around the problem and 
> has someone else encountered such a problem.
> 
just make a tpr with the old gromacs.

> Best regards,
> Philip
> 
> 
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> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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