I've excluded "charmm36.ff/lipids.rtp" from my topology and obtain new error Fatal error: No such moleculetype POPC
How I could include topology on this lipids ( all of them are present in the lipids.rtp. ) ? I have itp for the lipids only for the GROMOS ff so it should not be used here James 2011/10/21 Mark Abraham <mark.abra...@anu.edu.au> > On 21/10/2011 5:41 PM, James Starlight wrote: > >> I've also tried to make topology for my system parametriesed for charmm36 >> ff by hands but failed too :( >> >> This is my topology for the POPC bilayer wich I've made in VMD membrane >> builder as well as downloaded a pre built membrane system ( I've tested for >> both cases) >> >> ; Include chain topologies >> #include "charmm36.ff/forcefield.itp" >> >> ; Include lipids >> #include "charmm36.ff/lipids.rtp" >> > > .rtp files may not be #included > > > >> >> ; Include water topology >> #include "/charmm36.ff/tip3p.itp" >> > > Initial backslash refers to the root of your file system, so is likely > wrong. > > > >> ; Include ion topologies >> #include "charmm36.ff/ions.itp" >> >> ; System specifications >> [ system ] >> 128-Lipid POPC Bilayer in water >> >> [ molecules ] >> POPC 72 >> >> When I've loaded my molecule to grompp I've obtained error >> >> Program grompp, VERSION 4.5.4 >> Source code file: /tmp/gromacs-4.5.4/src/kernel/**toppush.c, line: 770 >> >> Fatal error: >> Unknown bond_atomtype 1 >> >> What does it means? Is here anybody who also tried to parametriesed theis >> lipids by charmm ff ? >> > > Don't blame the ff yet :-) > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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