VMD-L Mailing List
From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Tue Nov 12 2019 - 18:01:55 CST
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Hi,
One thing to try would be to see if using VMD 1.9.3 fixes the problem. I can't recall if this script cared about the VMD version or not. There are two other things you can try too: https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/30352.html
Is there anything funky in your structure that might cause the cg_bonds script trouble? I recall using it before, but also remember getting frustrated with its performance, and that was what lead me to make my own tpr reader.
-josh
On 2019-11-12 16:00:33-07:00 owner-vmd-l_at_ks.uiuc.edu wrote:
Dear VMD users,
I did md simulation of amphiphile peptides using gromacs and Martini force field.
I loaded trajectory file in VMD. Then, I used following commands in TkConsole:
1) source cg_bonds.tcl
2) cg_bonds -tpr new.tpr -top C16.top -topoltype "elastic"
I encountered with:
atomsel : setbonds: Need one bondlist for each selected atom
--------------------------------------------------------------------------------------------
version of gromacs is 2018.8
version of VMD is 1.9.1
I used cg_bonds.tcl script from this web site:
http://md.chem.rug.nl/images/tools/VMD/cg_bonds.tcl
How to resolve this problem?
Best,
LK
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