AMBER Archive (2009)

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

From: Sarvin Moghaddam (moghaddam_at_umbi.umd.edu)
Date: Wed Dec 23 2009 - 10:20:30 CST

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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