[gmx-users] cholesterol

Preeti Gupta parmeet_preet95 at yahoo.com
Thu Apr 21 12:05:15 CEST 2011


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.
I tried PRODRG for generating cholesterol topology file and coordinate file, but 
still i got the error-
invalid directive of atomtype.

can someone give me charmm residue topology file for cholesterol or with some 
solution.

Thanks in advance.
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