[gmx-users] Simulation of POPC in water using CHARMM27
reach.anirban.ghosh at gmail.com
Fri May 11 17:40:12 CEST 2012
On Fri, May 11, 2012 at 7:36 PM, Shima Arasteh
<shima_arasteh2001 at yahoo.com>wrote:
> Dear gmx users,
> I'm going to simulate the POPC in water.
> I downloaded required files in Tielman site and made the .top file. Then
> included the CHARMM27.ff in the .top file.
> When I run the grompp I get the fatal error as below:
> Atomtype CB not found
> I have done the same with gromos87.ff . But I didn't see any error.
> What's the problem?
> Anybody may suggest me how to solve this problem? Is this because of the
> forcefield? Or something in .top file goes wrong?
Have properly edited the CHARMM27 bonded and nonbonded .itp files to
include the Berger lipid parameters and have you included the POPC
topology? You can follow this tutorial to get an idea:
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users