[gmx-users] GROMOS 54A8 Force field

[ABEL Stephane]

With Google

http://vienna-ptm.univie.ac.at/?page_id=100

HTH

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Message: 4
Date: Tue, 7 May 2019 09:14:42 +0200
From: Mark Abraham <mark.j.abraham at gmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: Discussion list for GROMACS users
        <gromacs.org_gmx-users at maillist.sys.kth.se>
Subject: Re: [gmx-users] GROMOS 54A8 Force field
Message-ID:
        <CAMNuMASUNWd=VQ3qJQNK5KD03O-Uib=Vd6W5wECjfEjgVXmYcQ at mail.gmail.com>
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Hi,

I would contact the authors and ask them.

Mark

On Mon, 6 May 2019 at 11:30, Kalyanashis Jana <kalyan.chem.in at gmail.com>
wrote:

> Dear users,
> Could you please suggest me where I can get the complete package of GROMOS
> 54A8 force filed developed by Prof. Dr. Chris Oostenbrink and co-worker (
> https://pubs.acs.org/doi/10.1021/ct300156h).
>
> Looking forward to your suggestions.
>
> Thanks in advance.
>
> Sincerely yours,
> Kalyanashis Jana
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Message: 5
Date: Tue, 7 May 2019 09:16:06 +0200
From: Mark Abraham <mark.j.abraham at gmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Subject: Re: [gmx-users] Error when compiling 2019.2 with -DGMX_MPI=ON
Message-ID:
        <CAMNuMAQ8-g=ZiSvM4871AEv4a=9HdfG0Ga8MZDa+YR-5t1mruw at mail.gmail.com>
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Hi Dallas,

The install guide tries to provide the hint to use the MPI wrapper
compilers (mpicc and mpicxx) that are installed alongside the MPI package
you installed (but maybe as part of the *mpi-dev package) . Perhaps we can
make that more clear. (And if you do, there's no need to set GMX_MPI, as
the build system will see what your intent is.) The symptoms you report
look very much like those that mpicc will handle internally.
Mark


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End of gromacs.org_gmx-users Digest, Vol 181, Issue 14
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