VMD-L Mailing List
From: Sourav Ray (souravrayiitkgp_at_gmail.com)
Date: Mon Dec 14 2015 - 17:51:46 CST
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Hello
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 martini-protein.top 01-CG-lipoprotein autopsf.psf
01-CG-lipoprotein autopsf.pdb CG-fix_martini_psf 1 ../05-scripts 1 -1
Regards
Sourav
- Next message: Sourav Ray: "Re: Coarse-graining: Inability to assign charge to C-terminus using fix_martini_psf.tcl"
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- Next in thread: Sourav Ray: "Re: Coarse-graining: Inability to assign charge to C-terminus using fix_martini_psf.tcl"
- Reply: Sourav Ray: "Re: Coarse-graining: Inability to assign charge to C-terminus using fix_martini_psf.tcl"
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