From: patrick wintrode (pat_wde2_at_yahoo.com)
Date: Wed Jul 11 2007 - 16:20:20 CDT
I want to set up a CG simulation using the residue based coarse graining tools that are included in the latest version of VMD.
In the paper I read (the virus simulation by Arkhipov in Structure, 2006) it said that a "CHARMM style force field" was used. Does anyone have more details on this, or know where it can be obtained?
Also, is there a common choice for cutoff distances and timesteps for residue based CG simulations, or do the need to be chosen on a case by case basis?
Finally, does someone have a sample .conf file for CG simulations (like the samples available for standard NAMD simulations)?
Patrick L. Wintrode
Dept. of Physiology & Biophysics
Case Western Reserve University
Cleveland, Ohio 44106
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:57 CST