Re: [AMBER] Recover .lib from .prmtop and .inpcrd

From: Jason Swails <>
Date: Thu, 18 Jun 2015 10:18:59 -0600

On Thu, Jun 18, 2015 at 9:35 AM, Yin, Xing <> wrote:

> Dear Developers and Users,
> Is there way to recover force field files from the built .prmtop and
> .inpcrd files? I want to make some minor modifications (just to mutate
> several amino acid) to an existing model but it's built by
> someone else and I only have input files for simulations.

​Indeed there is. ParmEd can do this. -p your.prmtop -c your.inpcrd << EOF
writeFrcmod your.frcmod
writeOFF your.lib

The above command will generate your.frcmod and your.lib with all of the
Amber parameters and residues defined in a library file.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Thu Jun 18 2015 - 09:30:05 PDT
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