[gmx-users] capped residue

Xavier Periole x.periole at rug.nl
Wed Jan 19 11:29:58 CET 2005


>If I check at
>/usr/local/share/gromacs/top/ffgmx.rtp
>
>NT atom is there!
>  
>
No thje atom there is N of type NT !!!! change the name in the pdb file to N
and it should work ...
XAvier

-- 
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   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
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   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at rug.nl
   web-page: http://md.chem.rug.nl/~periole
   
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