[gmx-users] an error related to Gromacs version

[ABEL Stephane]

Hello, 

Probably you used a tpr file does not compatible with an older version of GROMACS. To resolve this problem, you could generate a new tpr with  Gromacs 5.0.7 and use it for your free energy calculations 

HTH

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Message: 4
Date: Sun, 25 Jun 2017 05:05:53 +0000 (UTC)
From: Mahboobeh Eslami <mahboobeh.eslami at yahoo.com>
To: Discussion List for GROMACS Users <gmx-users at gromacs.org>
Subject: [gmx-users] an error related to Gromacs version
Message-ID: <162816243.1216852.1498367153264 at mail.yahoo.com>
Content-Type: text/plain; charset=UTF-8

Hi all GMX usersI did MD simulation by Gromacs 5.1.2 and I want to calculate free energy by GMXPBSA script. This script don't work correctly with Gromacs 5.1.2 so I have to done free energy calculation by Gromacs 5.0.7. If I do this calculation I will get an error related to Gromacs version. Is there any way to solve this problem?Please help me
thanks


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