Running MD simulation for two molecules

From: 김민재 (
Date: Tue Apr 02 2019 - 01:23:45 CDT

Hi everyone,

I am currently trying to run a simulation for two molecules (1ca2 and its
inhibitor AZM.) I have pdb and psf files for both 1ca2 and AZM, and was
wondering if I had to combine those two into one pdb and psf file to run a
MD simulation on NAMD. If it were possible to set two structures in my
configuration file would I just write two lines for structure and
coordinates? (I am asking because VMD is having a problem combining the
coordinates of 1ca2 and AZM, but that is not part of my question for this


This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:10 CST