[gmx-users] Simulation of POPC in water using CHARMM27
reach.anirban.ghosh at gmail.com
Fri May 11 17:41:31 CEST 2012
On Fri, May 11, 2012 at 9:10 PM, Anirban <reach.anirban.ghosh at gmail.com>wrote:
> 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.
Its better to use CHARMM36 FF. It is more accurate towards the lipids and
available from the GROMACS user contribution section.
> 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:
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