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.
Mark
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