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Dear Xavier Periole,<BR>
thanks for your mail. I used grep command to find out the term 'donors' on all the corrosponding files of force field i am using. I am using ff-2 of Gromacs version 3.1.1. But no file is having term 'donor'. Kindly suugest me any other way to over come this problem. <BR>
<BR>
Thanking you<BR>
<BR>
prasad reddy. <BR>
<BR>
On Fri, 27 Aug 2004 Xavier Periole wrote :<BR>
>SLN Prasad Reddy wrote:<BR>
><BR>
>> Hello gromacs users,<BR>
>> I am working on a protein with ATP. When i do hydrogen bond anlysis (g-hbond), gromacs is complaining <BR>
>>No Donors or Acceptors found in group 'ATP'<BR>
>><BR>
>> i used PDB file of ATP containing all residues as per *.rtp file.<BR>
>><BR>
>>Kindly suggest me a solution for my problem.<BR>
>><BR>
>>Many thanks in advance<BR>
>><BR>
>>prasad reddy <BR>
>> <BR>
>You have to define the donors and acceptors atoms some where in the toplogy files !!!<BR>
>Probably not done for ATP !! A grep on donor on all the files in the top directory<BR>
>should help you find out how to define those donor/acceptor<BR>
>XAvier<BR>
><BR>
>-- ----------------------------------------------<BR>
><BR>
> Xavier Periole - Ph.D.<BR>
><BR>
> Dept. of Biophysical Chemistry / MD Group Univ. of Groningen<BR>
> Nijenborgh 4<BR>
> 9747 AG Groningen<BR>
> The Netherlands<BR>
><BR>
> Tel: +31-503634329<BR>
> Fax: +31-503634800<BR>
> email: x.periole@chem.rug.nl<BR>
> web-page: http://md.chem.rug.nl/~periole<BR>
> ----------------------------------------------<BR>
><BR>
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