[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

prasad reddy. 

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