Hi Reza,
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Message: 4
Date: Tue, 15 Dec 2009 14:03:36 -0800 (PST)
From: Reza Salari resa...@yahoo.com
Subject: Re: [gmx-users] New ion parameters and OPLS-AA
To: Discussion list for GROMACS users gmx-users@gromacs.org
Message-ID:
Hi Tsjerk,
thanks for the reply.
Will the MSD of the molecule also be affected by the fitting.
I'm trying to calculate the relative diffusion coefficient of an ion
near a protein. For this I thought to first fix the system according
to the protein and then calculate the msd of the ion.
I
make_edi crashes on 3.3.3 (but not on 3.3.1).
I think the problem is in eigio.c where the following lines were added
after 3.3.1:
eignr=NULL;
eigval=NULL;
eigvec=NULL;
I guess it should be:
*eignr=NULL;
*eigval=NULL;
*eigvec=NULL;
Elad P.
Try installing development version: openmotif-devel
Hi
I want to use grace 5.1.9 (normally xmvgr). each time i do installation
using ./configure, it prompts motif not found .
So i tried to find free softare openmotif (it can do the same work as
motif). Having successfully installed
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