[gmx-users] PIP2

Shozeb Haider shozeb at biop.ox.ac.uk
Thu Oct 28 17:53:31 CEST 2004

Dear gmx-users,

I am relatively new to creating parameters for small molecules in
Gromacs and have a few question to ask the more experienced Gromacs

(1) I know a lot of people use the PRODRG server. How comparable is the
output from it compared to generating parameters using other ab initio
techniques ?

(2) Has any one used parameters from a different force field and
simulated small molecules in Gromacs ffgmx force field? I know CHARMM
and AMBER parameters a used quite often in each others. Has some one
benchmarked these in gromacs ?

(3) Has any one created parameters for PIP2 or IP3 (in ffgmx) or
simulated these lipids and is willing to share the set up of the system ?

many thanks and best wishes


Room G14, Rudolph Peters Building
Department of Biochemistry
The University of Oxford
Oxford OX1 3QU

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