From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Jul 18 2008 - 12:09:48 CDT
On Fri, 18 Jul 2008, tinni sona wrote:
TS> Hi All,
TS> I want to perform the MD simulation of protein-carbohydrate complex using
TS> NAMD. My force field is AMBER. I'm failed to generate the required psf file
TS> for the system using the AMBER and GLYCAM topology files for protein and
TS> carbohydrate. However using CHARMM topology file for protein the psf file
TS> for protein is generating nicely.
TS> Can anyone please suggest me how to generate the psf file using topology
TS> file taken from AMBER?
why do that??
NAMD can read the AMBER generated topology file directly.
check out the documentation.
TS> I would really appreciate if you could respond.
-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
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