[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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