> -Original Message-
> From: gmx-users-boun...@gromacs.org [mailto:gmx-users-
> boun...@gromacs.org] On Behalf Of Nuno Azoia
> Sent: Monday, July 08, 2013 11:21 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Stimulation stopped at 2ns
>
&
On 8 July 2013 22:12, Justin Lemkul wrote:
>
>
> On 7/8/13 5:08 PM, Rama Krishna Koppisetti wrote:
>
>> Thanks Justin for your reply,
>>
>> I found something like this, in .log file,nsteps=100 but in .mdp file
>>
>
> Then you're not using the .mdp file you think you are and the run is only
>
On 7/8/13 5:08 PM, Rama Krishna Koppisetti wrote:
Thanks Justin for your reply,
I found something like this, in .log file,nsteps=100 but in .mdp file
Then you're not using the .mdp file you think you are and the run is only
scheduled for 2 ns.
it is nsteps=500. I don't see any st
Thanks Justin for your reply,
I found something like this, in .log file,nsteps=100 but in .mdp file
it is nsteps=500. I don't see any stdout and stderr files.
___
On Mon, Jul 8, 2013 at 3:50 PM, Justin Lemkul wrote:
>
>
> On 7/8/13 4:3
On 7/8/13 4:33 PM, Rama wrote:
Dear All,
I'm trying to do long stimulation run but every time it stops at 2ns, below
pasted .mdp file parameters. How to run 10ns or more ns stimulation run? Do
I need to change any parameters in .mdp file or else where.
There is nothing in the .mdp file that
5 matches
Mail list logo
