Re: [AMBER] MMPBSA-ERROR for firstmolecule-dna

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 19 Dec 2014 12:00:01 -0700

On Fri, Dec 19, 2014 at 11:15 AM, Jason Swails <jason.swails.gmail.com> wrote:
> These are chamber-generated prmtop files. They are not compatible with VMD. You should be able to load them into cpptraj, though. You can use cpptraj to generate a PDB file you can visualize in VMD if you need to.

FYI you can also "strip" the chamber info from the topology for use
with VMD with cpptraj 'parmwrite' command with the 'nochamber'
keyword, but the topology is then good for visualization/analysis
only, *not* simulations.

parm myparm.parm7
parmwrite out nochamber.parm7 nochamber

-Dan

>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
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-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Fri Dec 19 2014 - 11:30:04 PST
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