[gmx-users] water simulation

abhijit kayal kayalabhijitiitd at gmail.com
Tue Aug 25 11:37:13 CEST 2009


Hi everyone,
               I am new to the GROMACS.In GROMACS there is a example of
water(spc model).But  after the command grompp -the output file water.tpr
should generate.But it is not giving the output.So what kind of changes have
to be done in grompp.mdp,topol.top, files.Please reply.
                                                           Abhijit Kayal
                                                            IIT Delhi
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