[gmx-users] Re:problem with simulation of freezing of water

2012-11-11 Thread ran friedman
users] Re:problem with simulation of freezing of water To: Discussion list for GROMACS users Message-ID: <509fd1ab.50...@vt.edu> Content-Type: text/plain; charset=UTF-8; format=flowed On 11/11/12 11:22 AM, Ali Alizadeh wrote: > Dear Justin > > Thank you for reply, > &g

Re: [gmx-users] Re:problem with simulation of freezing of water

2012-11-11 Thread David van der Spoel
On 2012-11-11 17:26, Justin Lemkul wrote: On 11/11/12 11:22 AM, Ali Alizadeh wrote: Dear Justin Thank you for reply, I want to simulation of water freezing, my condition: pressure=300 bar and T=240 k , number 1656, run time= 100ns, I can not see regular structure of ice by MD simulation or

Re: [gmx-users] Re:problem with simulation of freezing of water

2012-11-11 Thread Justin Lemkul
On 11/11/12 11:22 AM, Ali Alizadeh wrote: Dear Justin Thank you for reply, I want to simulation of water freezing, my condition: pressure=300 bar and T=240 k , number 1656, run time= 100ns, I can not see regular structure of ice by MD simulation or by gromacs? In your opinion, if i want th