Mark.Abraham at anu.edu.au
Thu Apr 21 13:43:31 CEST 2011
On 4/21/2011 8:05 PM, Preeti Gupta wrote:
> Hi All,
> I am new user of gromacs and i want to simulate cholesterol + DOPC as
> my final year project.
> firstly i tried gromacs with cholesterol, for which i have downloaded
> cholesterol pdb and itp file from gromacs site by Monika Hoeltje.
> i m getting the following error- Residue 'CHOL' not found in residue
> topology database.
... which you need if only if you want to use pdb2gmx on a structure file.
> I tried PRODRG for generating cholesterol topology file and coordinate
> file, but still i got the error-
> invalid directive of atomtype.
So you've got some file format wrong...
> can someone give me charmm residue topology file for cholesterol or
> with some solution.
I think you will profit from doing some tutorial material and looking at
the examples in chapter 5 of the manual.
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