[gmx-users] GROMOS96 topology

Ruben Martinez Buey ruben at akilonia.cib.csic.es
Wed Sep 11 21:33:54 CEST 2002

Hi all,
I have a small molecule with more than 100 atoms/bonds/angles. When
PRODRG generates the GROMOS87 topology, an error occurs:
6672**3038 0 0 1 1 1 1

I want to use GROMOS96, so I would like to generate a molecular topology
for GROMOS87 with PRODRG
and convert to GROMOS96 with the program "cnvtop.64" included in the
GROMOS96 software.
Can anyone help me?
Thanks a lot for your help
with best regards

Rubén Martínez-Buey. PhD student
Protein Function and Structure Dept. Lab. 352
Centro de Investigaciones Biológicas (CIB-CSIC)
C/ Velázquez, 144  28006  MADRID
Tlf: +34-91-561 18 00 ext. 4380

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