[gmx-users] (no subject)
zlzuo at mail.shcnc.ac.cn
Mon Apr 14 10:39:01 CEST 2003
I want to generate the topology for the ligand. But my ligand is composed of eight residues, six of them are GLU, LEU, ASP, VAL, GLU and PHe, and two of them are non-peptide residues in the middle.
when I made top file in www.davapc1.bioch.dundee.ac.uk, the hydrogens in all the carboxyl were missing and the coordinate of hydrogen to the nitrogen in the last GLU is "nan".
How can I generate the proper topology of my ligand?
More information about the gromacs.org_gmx-users