[gmx-users] About Bond in Topology
scvsankar_agr at yahoo.com
Sat Sep 22 08:23:13 CEST 2012
Thank you Sir. For your repl
I Would like to construct .top file for Cyclic Peptide .
My N-terminal residue is ARG and C-Terminal is
PRO . In pdb There is Bond between N atom of ARG (First residue) and C atom of PRO (Last Residue) When I Generated Topology using pdb2gmx . But there is No bond connectivity Between First and Last Atom .Then
Manually I have Edited .top file and I have defined the bond Between
First Atom (1) and Last atom (169) . Then I have done EM Successfully .
My Question Is
Will This Manual Editing of .top File create a bond or Not .
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