How did you solvate your system? What exact command did you use? On Thu, Apr 16, 2015 at 2:37 PM, Raj D <gromacs.fo...@gmail.com> wrote:
> Dear Users, > I want to use TIP4P-Ew water model for my simulation of protein. Every time > I select water model TIP4P-Ew option number 3 in pdb2gmx step it writes > the toplogy and coordinate files and I use gmx ediconf and gmx solvate tool > to prepare solvation system for simulation and at the stage of issuing > grompp command for EM , it reports a typical coordinate file mismatch error > between solvated.gro and topol.top . surprisingly if I selected any other > water model other than TIP4P-Ew at the stage of pdb2gmx, the grompp steps > went on right. Since there is no special mentioning in the pdb2gmx -h > report or in manual about any special user interference needed to be there > in using TIP4P-Ew in pdb2gmx , I wonder why it is behaving like this , I am > using the latest version of gromacs-5.0.4. ? > Kindly do the needful. > With kind regards, > Raja > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Abhijit kayal Research Scholar Theoretical Chemistry IIT Kanpur -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.