[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090818/02133617/attachment.html>
More information about the gromacs.org_gmx-users
mailing list