[gmx-users] defining hydrogen bond donars and acceptors
SLN Prasad Reddy
sreeyapu at rediffmail.com
Sat Aug 28 11:50:28 CEST 2004
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Hello gromacs usres,
To simulate my protein with ATP i am using force field no:2 of gromacs version 3.1.1. When i tried to analyse hydrogen bonds between protein and ATP , program complaining that there are no donors and acceptors in a group "ATP" . Kindly let me know how and where to define acceptors and donors in ATP. I changed atom names of ATP present in ffG---.rtp file.
Many thanks in advance
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