[gmx-users] Parameter generation for covalently bonded ligands

Rakesh Mishra rockinbhu at gmail.com
Thu Nov 1 10:19:01 CET 2018

Dear all,

I want to make two covalent bonds between ligands and two bases of DNA .
For this I want to generate amber parameters  of covalently bonded ligands
for  running in Gromacs. In normal case without co-valent bonds we are able
to generate parameters. but for  two co-valentely bonded bases we are
unable. We have found some tutorials for normal one but not for two
covalently bonded one. If some one have any idea then hoping response from
his side.


*With Best-Rakesh Kumar Mishra*
*  (RA)CSD  SINP Kolkata, India*

*E-mail - rakesh.mishra at saha.ac.in <rakesh.mishra at saha.ac.in> *

*Phone n. +91 9473662491, +918777496532*

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