Re: [gmx-users] TRR file with nstxout= 0

2012-04-30 Thread Steven Neumann
On Fri, Apr 27, 2012 at 5:13 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 4/27/12 12:09 PM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:38 PM, Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu wrote: On 4/27/12 11:34 AM, Steven Neumann wrote: On Fri, Apr 27,

Re: [gmx-users] TRR file with nstxout= 0

2012-04-30 Thread Mark Abraham
On 30/04/2012 6:34 PM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 5:13 PM, Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu wrote: On 4/27/12 12:09 PM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:38 PM, Justin A. Lemkul jalem...@vt.edu

Re: [gmx-users] TRR file with nstxout= 0

2012-04-30 Thread Steven Neumann
On Mon, Apr 30, 2012 at 9:39 AM, Mark Abraham mark.abra...@anu.edu.auwrote: On 30/04/2012 6:34 PM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 5:13 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 4/27/12 12:09 PM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:38 PM, Justin A.

Re: [gmx-users] TRR file with nstxout= 0

2012-04-27 Thread Justin A. Lemkul
On 4/27/12 11:22 AM, Steven Neumann wrote: Dear Gmx Users, I am running 2 us simulation in implicit solvent model: define= -DPOSRES integrator= sd; leap-frog integrator nsteps= 5 ; 0.004 * 5= 2 us dt= 0.004 ; 4 fs ; Output

Re: [gmx-users] TRR file with nstxout= 0

2012-04-27 Thread Steven Neumann
On Fri, Apr 27, 2012 at 4:28 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 4/27/12 11:22 AM, Steven Neumann wrote: Dear Gmx Users, I am running 2 us simulation in implicit solvent model: define= -DPOSRES integrator= sd; leap-frog integrator nsteps=

Re: [gmx-users] TRR file with nstxout= 0

2012-04-27 Thread Justin A. Lemkul
On 4/27/12 11:34 AM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:28 PM, Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu wrote: On 4/27/12 11:22 AM, Steven Neumann wrote: Dear Gmx Users, I am running 2 us simulation in implicit solvent model:

Re: [gmx-users] TRR file with nstxout= 0

2012-04-27 Thread Steven Neumann
On Fri, Apr 27, 2012 at 4:38 PM, Justin A. Lemkul jalem...@vt.edu wrote: On 4/27/12 11:34 AM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:28 PM, Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu wrote: On 4/27/12 11:22 AM, Steven Neumann wrote: Dear Gmx Users,

Re: [gmx-users] TRR file with nstxout= 0

2012-04-27 Thread Justin A. Lemkul
On 4/27/12 12:09 PM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:38 PM, Justin A. Lemkul jalem...@vt.edu mailto:jalem...@vt.edu wrote: On 4/27/12 11:34 AM, Steven Neumann wrote: On Fri, Apr 27, 2012 at 4:28 PM, Justin A. Lemkul jalem...@vt.edu