[gmx-users] About pdb2gmx for cyclic pepetide
vidhya sankar
scvsankar_agr at yahoo.com
Sat Sep 15 05:37:47 CEST 2012
Dear Justin and other Gromacs users ,
Thank you for your previous reply
Again i Have tried the option -missing when i use pdb2gmx tool i have got errror as follows
My command is
./pdb2gmx_d -f 2KDQ.pdb -o 2KDQ.gro -p 2KDQ.top -missing -ignh -ter
There is a dangling bond at at least one of the terminal ends. Select a proper terminal entry.
I went through a Mailing Archive Yet no body explain the proper Topology construction for cyclic peptide
It Discussed about Manual editing of topology But in my case it is headache
Because my cyclic peptide contains large number of atom
How to solve this problem without manual editing
With Regards
S.vidhyasankar
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