From: Sourav Ray (
Date: Mon Dec 14 2015 - 17:51:46 CST


I tried to coarse-grain a set of four peptide molecules using the default
martini RBCG package provided at VMD web page. Everything goes fine till I
try applying a charge to C-terminus of the peptides using
fix_martini_psf.tcl. Although there is no issue assigning charges to the
N-terminus. Please let me know if anyone has a solution.

fix martini psf 0 01-CG-lipoprotein autopsf.psf
01-CG-lipoprotein autopsf.pdb CG-fix_martini_psf 1 ../05-scripts 1 -1