Hi i got that error in the step of pdb2gmx what can i do i read also http://www.gromacs.org/Documentation/Errors#Residue_%27XXX%27_not_found_in_residue_topology_database can any one tell exact reason and how i handle further thanking you
------------- All occupancies are one Opening force field file /usr/local/gromacs/share/gromacs/top/oplsaa.ff/atomtypes.atp Atomtype 1 Reading residue database... (oplsaa) Opening force field file /usr/local/gromacs/share/gromacs/top/oplsaa.ff/aminoacids.rtp Residue 56 Sorting it all out... Opening force field file /usr/local/gromacs/share/gromacs/top/oplsaa.ff/aminoacids.hdb Opening force field file /usr/local/gromacs/share/gromacs/top/oplsaa.ff/aminoacids.n.tdb Opening force field file /usr/local/gromacs/share/gromacs/top/oplsaa.ff/aminoacids.c.tdb Back Off! I just backed up topol.top to ./#topol.top.4# Processing chain 1 'E' (603 atoms, 20 residues) Identified residue DG2 as a starting terminus. Warning: Residue MN1022 in chain has different type (Other) from starting residue DG2 (DNA). Identified residue DT20 as a ending terminus. 8 out of 8 lines of specbond.dat converted successfully ------------------------------------------------------- Program pdb2gmx, VERSION 4.5.5 Source code file: resall.c, line: 581 Fatal error: Residue 'DG' not found in residue topology database For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- -- *S.VENKATESH,* II M.Sc Bioinformatics, Alagappa University, Karaikudi-630003 Tamil Nadu, India Mobile Phone:- 9486494616
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