From: Audrey Salazar (alsalazar_at_northwestern.edu)
Date: Wed Jun 20 2007 - 09:48:45 CDT
I am a first year graduate student trying to understand and run the CHARMM27
force field using NAMD (I will be simulating nucleic acids). As I
familiarize myself with NAMD, I find that I have several unanswered
questions that I am hoping someone would be willing to answer. I am listing
1) From the webpage below, I am gathering that PSF files in XPLOR or CHARMM
formats will run in NAMD as a CHARMM MD simulation. Is this the case?
2) I installed NAMD 2.6 from source code and CHARMM was installed with it.
The webpage above states that CHARMM19, CHARMM22, and CHARMM27 file formats
are supported by NAMD. How many versions of the CHARMM force field are
included by default in NAMD 2.6? I.e., how do I know which version of CHARMM
I am using for my MD simulation?
Thank you in advance.
-- Audrey L. Salazar Amaral Research Group Dept. of Chemical and Biological Engineering Phone: 847.491.2188 Northwestern University Evanston, IL USA
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