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

From: xmzpzengs <>
Date: Thu, 24 Dec 2009 00:40:28 +0800

it seems so complicated to finish this job because some atoms type are different between amber and you have to modify them by hand so far.
you can search this imformation using google. a few months ago , i did it and someone give out the similirar amswer.

Name:Zeng Zhi-Ping Ph.D
interest: organic phosphorus chemistry and drug design
address:Department of Chemistry, Xiamen University,
            the Key Laboratory for Chemical Biology of Fujian Province,
            Xiamen 361005, People’s Republic of China

发件人:Sarvin Moghaddam
发送日期:2009-12-24 00:21:08
收件人:AMBER Mailing List
主题:[AMBER] CHARMM psf file to Amber prmtop file

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.


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Received on Wed Dec 23 2009 - 09:00:02 PST
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