[gmx-users] ligand-protein distance restraint
pathumwadeei at yahoo.com
Tue Jan 27 14:25:51 CET 2009
I tried to make a hybrid [moleculetype] section that includes one protein and 4 ligands, it is very complicate way to do.
I have to do mannaully to put [atoms], [bonds], [pairs], [angles] and [dihedral] for each ligand and need to re-number for all, if not, the error of "Atoms in the .top are not numbered consecutively from 1" will be occured.
Do you have any more esier way to make a hybrid [moleculetype] ?
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