[gmx-users] dihedral angle problems

SLN Prasad Reddy sreeyapu at rediffmail.com
Tue Aug 17 17:23:03 CEST 2004

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Hello gromacs users
             I am simulating a protein with ATP.To run pdb2gmx command i need to modify the atomnames of atp and add hydrogens as per the ffgmx.itp ( i am using forcefield-0 of gromacs-3.1.1).After using 'editconf' and 'genbox'commands If i run grompp command to genarate xxx.tpr file it is complaining that diherdral angles are not properly set for ATP.Kindly suggest me a solution for this problem.Your help is deeply appreciated.

Thanking you


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