[gmx-users] ATP and Gromacs

SLN Prasad Reddy sreeyapu at rediffmail.com
Mon Apr 26 19:40:01 CEST 2004

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Hi ,
      I am trying to run gromacs on a protein having ATP.I started simulation with a command "pdb2gmx" and it is giving following error

Fatal error: Atom PG in residue ATP 250 not found in rtp database
            while sorting atoms                              

Please suggest me how to overcome this. 

Thank you

Prasad reddy 

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