[gmx-users] adding new lipid into /charmm27.ff/lipids.rtp

Bing Bing jarbing09 at gmail.com
Mon May 16 13:39:39 CEST 2011

Dear All,
Hi! I 'm using Charmm-gui to generate an empty membrane pdb and toppar, i
managed to get the charmm topology from toppar directory. With that, I'm
trying to put additional lipid topology from charmm-gui  into
/charmm27.ff/lipids.rtp (gromacs4.5.4) for my empty membrane. But with
pdb2gmx, it failed to recognize the residue type with the error "Residue not
found in residue topology database".
May i know in the rtp file format,  is the spacing crucial in order for
gromacs to process?

thank you in advance.

best regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110516/8d8084b3/attachment.html>

More information about the gromacs.org_gmx-users mailing list