[gmx-users] error in grompp if used TIP4p-Ew water at pdb2gmx

Raj D gromacs.for.f at gmail.com
Thu Apr 16 11:07:48 CEST 2015

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,

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