Re: [gmx-users] -vsite hydrogen

2014-12-29 Thread Wojciech Kopeć
: Re: [gmx-users] -vsite hydrogen Message-ID: <54a172f3.5040...@vt.edu> Content-Type: text/plain; charset=windows-1252; format=flowed On 12/29/14 6:28 AM, h.aliza...@znu.ac.ir wrote: > Dear Users, > I am simulating a membrane protein with charmm ff with a 2fs time step. > How the

Re: [gmx-users] -vsite hydrogen

2014-12-29 Thread Justin Lemkul
On 12/29/14 6:28 AM, h.aliza...@znu.ac.ir wrote: Dear Users, I am simulating a membrane protein with charmm ff with a 2fs time step. How the results will be affected if I use a 5fs time step by using "-vsite hydrogen" option in pdb2gmx? Do my results loose their accuracy if I use this option?

[gmx-users] -vsite hydrogen

2014-12-29 Thread h . alizadeh
Dear Users, I am simulating a membrane protein with charmm ff with a 2fs time step. How the results will be affected if I use a 5fs time step by using "-vsite hydrogen" option in pdb2gmx? Do my results loose their accuracy if I use this option? Best wishes, H.A -- Gromacs Users mailing list * Pl