[gmx-users] pdb2gmx with ATP

Stud_Psychopharm stu_psyc at nimhans.kar.nic.in
Thu Jun 10 18:09:02 CEST 2004

Dear Users,
When we were runing pdb2gmx for a protein with a ATP molecule, it is
showing the following error:
Fatal error: Atom PG in residue ATP 484 not found in rtp entry with 36
atoms  while sorting atoms

But I belive that the gromacs rtp database has the topology information
for the ATP. So anyone of you please advise us to get rid of this problem

MAny thanks in advance.

"The more we learn the more we realize how little we know." - 
R.Buckminster Fuller 

Blaise M.
Graduate Student,
Department of Psychopharmacology,
National Institute of Mental Health And Neuro Sciences (NIMHANS),
India. Tel: 91 80 6995112.

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