AMBER Archive (2009)

Subject: Re: [AMBER] CHARMM psf file to Amber prmtop file

From: Jason Swails (
Date: Wed Dec 23 2009 - 14:32:11 CST


The best way of doing this that I can think of is to save a snapshot
as a PDB with ptraj (as it can read charmm topology files) and run it
through leap. I don't know if there is another good way of doing this.

Good luck!


On Dec 23, 2009, at 11:20 AM, Sarvin Moghaddam
<> wrote:

> Hello All,
> I was wondering if somebody can help me with the following:
> I have CHARMM dcd and psf files and need to convert them to Amber
> xyz and prmtop files.
> I have extracted Cartesian coordinates from my CHARMM dcd file and I
> believe (haven't tried it yet) ptraj can convert that to Amber
> coordinates but was wondering
> if there is anyway to do convert the CHARMM psf to amber prmtop as
> well?
> I found the same query in Amber email list but couldn't find the
> answer and was hoping maybe "by now" somebody knows the trick?!
> Thanks in advance.
> Sarvin
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