<P>
<BR>
Dear david,<BR>
I am very happy to inform you that i am successful in geting hydrogen bonds between protein and ATP. But it was possible only because your suggestion. I am really greatful for your help. <BR>
<BR>
Thanking you once more<BR>
<BR>
Prasad reddy.<BR>
<BR>
On Sat, 28 Aug 2004 David wrote :<BR>
>On Sat, 2004-08-28 at 11:50, SLN Prasad Reddy wrote:<BR>
> ><BR>
> ><BR>
> > Hello gromacs usres,<BR>
> > 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.<BR>
> ><BR>
> > Many thanks in advance<BR>
><BR>
>you probably have te remove the A for all the atom names, make a new<BR>
>topology and retry.<BR>
><BR>
><BR>
> ><BR>
> > prasad reddy.<BR>
> ><BR>
> > ______________________________________________________________________<BR>
> > _______________________________________________<BR>
> > gmx-users mailing list<BR>
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>--<BR>
>David.<BR>
>________________________________________________________________________<BR>
>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<BR>
>Dept. of Cell and Molecular Biology, Uppsala University.<BR>
>Husargatan 3, Box 596, 75124 Uppsala, Sweden<BR>
>phone: 46 18 471 4205 fax: 46 18 511 755<BR>
>spoel@xray.bmc.uu.se spoel@gromacs.org http://xray.bmc.uu.se/~spoel<BR>
>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<BR>
><BR>
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