Hi Gromacs users, I am trying to run a fullerene simulaton in TIP4P water model, i am using the "c70_G53a6.itp <http://tfy.tkk.fi/soft/downloads/files/c70_G53a6.itp>" file downloaded from http://tfy.tkk.fi/soft/downloads/. i have added TIP4P water model using genbox command, later when i am trying to generate .tpr file for energy minimization it gives me the following error.
------------------------------------------------------- Program grompp, VERSION 4.5.4 Source code file: toppush.c, line: 1166 Fatal error: Atomtype OWT4 not found For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- I looked up in the mailing list and found many helpful comments but i could not resolve the problem, i searched in the tip4p.itp file of gromos force field and i could see that tip4p water model is defined in that file, but i could not find the atom types defined in atomtypes.atp file. when i try to enter the atom types for some reason it does not read my entries. here is my .top file ; The force field files to be included #include "ffG53a6.itp" [ moleculetype ] #include "fullerene.itp" ; Include water topology #include "tip4p.itp" [ system ] Fullerene in Water [ molecule ] FUL 1 SOL 1696 Can anybody help me? Thanks very much. -- ********************************************* *J. Srinivasa Rao Post-doctoral Research Associate Computational Biophysics Group Department of Physics, Drexel University 3141 Chestnut St, Philadelphia, PA 19104 Ph: 215-895-1989 Web:http://jsrao.web.officelive.com/default.aspx* **********************************************
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