charm36 for ATP and MG

From: Radhika Anoop (
Date: Tue Sep 08 2015 - 00:55:48 CDT


I am using NAMD to simulate a protein with ATP and MG.I want to use CHARM36
forcefileds. The topology files I found were top_all36_prot.rtf and a
stream file toppar_all36_na_nad_ppi.str for ATP. Unfortunately I am not
able to generate PSF files. When I mentioned two topology files in NAMD
script , error came because of more than one argument. Can anybody help me
to find the the proper way to do psf generation for protein with ATP and MG?


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