[gmx-users] deleting duplicate atoms
lpulagam at uos.de
Thu Oct 9 19:40:01 CEST 2003
Dear gromacs users,
i am using a protein with special residues. that special residue
contained one N=O group, in ring. i would like to use ffG43b1 because i want
to make stimulation in vaccum.
but the pdb2gmx program says that
deleting duplicating atoms O
after that again it said O1 not found ( atom name O1).
for my protein this oxygen(N=O) is very important.
I hope any of you could help for me.
thank you very much.
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