[gmx-users] about equilibrium

2012-10-15 Thread mohammad agha
Dear Gromacs Users, I have one system consists of: surfactant, solvent and additives. I made one box with only solvent and one box with only additives and equilibrated them little separable for better placing into the box, and then made one box with surfactant and then placed box of

Re: [gmx-users] about equilibrium

2012-10-15 Thread Justin Lemkul
On 10/15/12 8:56 AM, mohammad agha wrote: Dear Gromacs Users, I have one system consists of: surfactant, solvent and additives. I made one box with only solvent and one box with only additives and equilibrated them little separable for better placing into the box, and then made one box

[gmx-users] about equilibrium

2012-10-15 Thread mohammad agha
, October 15, 2012 5:21 PM Subject: Re: [gmx-users] about equilibrium On 10/15/12 8:56 AM, mohammad agha wrote: Dear Gromacs Users, I have one system consists of: surfactant, solvent and additives. I made one box with only solvent and one box with only additives and equilibrated them

Re: [gmx-users] about equilibrium

2012-10-15 Thread Justin Lemkul
On 10/15/12 12:11 PM, mohammad agha wrote: Dear Justin, Thank you very much from your response. This question was because of my previous problems about equilibration the box that I sent it with subject equilibrium for box of simulation. When I equilibrate solvent and additives separated

[gmx-users] about equilibrium

2012-10-15 Thread mohammad agha
users gmx-users@gromacs.org Cc: Sent: Monday, October 15, 2012 7:50 PM Subject: Re: [gmx-users] about equilibrium On 10/15/12 12:11 PM, mohammad agha wrote: Dear Justin, Thank you very much from your response. This question was because of my previous problems about equilibration the box

Re: [gmx-users] about equilibrium

2012-10-15 Thread Justin Lemkul
...@yahoo.com; Discussion list for GROMACS users gmx-users@gromacs.org Cc: Sent: Monday, October 15, 2012 7:50 PM Subject: Re: [gmx-users] about equilibrium On 10/15/12 12:11 PM, mohammad agha wrote: Dear Justin, Thank you very much from your response. This question was because of my previous

[gmx-users] about equilibrium

2012-10-15 Thread mohammad agha
- From: Justin Lemkul jalem...@vt.edu To: mohammad agha mra...@yahoo.com; Discussion list for GROMACS users gmx-users@gromacs.org Cc: Sent: Monday, October 15, 2012 7:50 PM Subject: Re: [gmx-users] about equilibrium On 10/15/12 12:11 PM, mohammad agha wrote: Dear Justin, Thank you