AMBER Archive (2009)

Subject: [AMBER] generate prmtop file from CHARMM psf file

From: Jeffrey (
Date: Mon Sep 21 2009 - 09:34:59 CDT

Dear all,

   I'd like to know whether it is possible to generate an amber-like .prmtop file from .psf file of CHARMM?
The PTRAJ module can convert the MD trajectory produced by CHARMM to the one amber can read. But it cann't be used to convert the corresponding .psf file of CHARMM to .prmtop file of AMBER.
Is there any tool that can do the job?

Many thanks.

Jeffrey Yang
Dalian Institute of Chemical Physics, Chinese Academy of Sciences.


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