[gmx-users] sugar puckering

[Téletchéa Stéphane]

Le 21/04/2016 04:24, bharat gupta a écrit :
> 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 ??
>

1 - contact the authors
2 - adjust the code (I'm interested if you do it ...)
3 - compile it using the version it was meant for, if it parses xtc 
files it should not matter a lot ...

Best,

Stéphane

-- 
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