[gmx-users] sugar puckering

bharat gupta bharat.85.monu at gmail.com
Thu Apr 21 04:25:10 CEST 2016


Dear Gmx Users,

I am interested in calculating cremer-pople parameters for a trisachharide
ligand from its simulation docked with a protein. I found one tool
g_puckering for calculating the parameters but it was written for Gromacs
version 4.0.x and I am using version 5.0.4. I am not able to compile this
tool for my current version of gromacs. So can anybody tell me how can I
calculate such parameters in gromacs ??

-- 
*Best Regards*
BM


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