subject:"\[gmx\-users\] TIP4P\/ice pdb file"

Re: [gmx-users] TIP4P/ice pdb file

2017-07-06 Thread G R

-- > > Message: 1 > Date: Wed, 5 Jul 2017 21:57:26 +0300 > From: G R <golnaz.c...@gmail.com> > To: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: [gmx-users] TIP4P/ice pdb file > Message-ID: >

Re: [gmx-users] TIP4P/ice pdb file

2017-07-05 Thread Christopher Neale

<gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of G R <golnaz.c...@gmail.com> Sent: 05 July 2017 14:57:26 To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] TIP4P/ice pdb file Dear All, I would like to simulate water using TIP4P/ice potential. My question

[gmx-users] TIP4P/ice pdb file

2017-07-05 Thread G R

Dear All, I would like to simulate water using TIP4P/ice potential. My question is that how can I generate .gro file for this simulation? I will use TIP4P/ice topology that is available in SklogWiki, but I cannot understand how can I generate .gro file for this topology. Can I easily use