AW: Force Field Topology and Parameter Files

From: Norman Geist (
Date: Wed Nov 14 2012 - 00:15:42 CST

Hi Stephen,


for each forcefield there are some tool chains usually. I know for charmm
you can use VMD, but as I'm using amber aswell, I can't say how comfortable
it is. For amber there's the ambertools package containing xleap for
example, free to download from the amber homepage.


Norman Geist.


Von: [] Im Auftrag
von Stephen Holmes
Gesendet: Dienstag, 13. November 2012 16:01
Betreff: namd-l: Force Field Topology and Parameter Files


>From the mailing list posts, I understand that all force fields are
supported including all file types(CHARMM AND AMBER). I would like to run
simulations using the CHARMM27 and AMBER99SB force fields. Could you assist
me in finding a reference to obtain the topology and parameter files for
each? Also, does the file extension .inp matter for these files, can other
file extensions for the topology and parameter files be used?


Thank you for your attention to this matter.


Steve Holmes

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