[gmx-users] error in residue topology

Chanchal chanchal.kar at gmail.com
Wed Aug 19 01:37:57 CEST 2009


Hi All,
   I am a novice in gromacs. I want to study sugar/membrane interaction and
I want to use gromos96 45a3 ff. At first  I am planning to simulate  dopc
bilayer + water.  I downloaded the pdb file of dopc  from the site
http://www.bioinf.uni-sb.de/RB/ .  Then I typed pdb2gmx_d -f dopc.pdb and
choose gromos96 45a3 force field. But I got the error "Residue 'OLE' not
found in residue topology database". How can I fix the error?
Thanks
Chanchal
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