Re: [gmx-users] Segmentation fault mdrun

2014-09-01 Thread Alex s
e? Thanks Alex > Date: Sun, 31 Aug 2014 17:14:48 -0400 > From: jalem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Segmentation fault mdrun > > > > On 8/31/14, 1:55 PM, Alex s wrote: > > > > There was a typo in the last message, I found NO i

Re: [gmx-users] Segmentation fault mdrun

2014-08-31 Thread Alex s
lem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Segmentation fault mdrun > > > > On 8/31/14, 1:17 PM, Alex s wrote: > > Hi > > I'd really appreciate some advice on this issue, I tend to get a > > segmentation fault during my mdr

Re: [gmx-users] Segmentation fault mdrun

2014-08-31 Thread Alex s
oking for in point 3? Thanks Alex > Date: Sun, 31 Aug 2014 13:20:31 -0400 > From: jalem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Segmentation fault mdrun > > > > On 8/31/14, 1:17 PM, Alex s wrote: > > Hi > > I'd really appreciate

[gmx-users] Segmentation fault mdrun

2014-08-31 Thread Alex s
Hi I'd really appreciate some advice on this issue, I tend to get a segmentation fault during my mdrun. I've searched online for ways to resolve this and tried to diagnose whats causing this problem but I'm having no luck. I know that if you get a segmentation fault at step 0 its most likely a

Re: [gmx-users] Polymer not diffusing into membrane

2014-08-13 Thread Alex s
I obtained all of my forcefield, coordinate and topology files from the MARTINI website. > Date: Wed, 13 Aug 2014 11:29:52 -0400 > From: jalem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Polymer not diffusing into membrane > > > > On 8/13/14, 10:45

Re: [gmx-users] Polymer not diffusing into membrane

2014-08-13 Thread Alex s
where I have to manually edit water boxes and position them to fill the empty space in the system box. ThanksAlex > Date: Wed, 13 Aug 2014 10:21:42 -0400 > From: jalem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Polymer not diffusing into membrane > > >

Re: [gmx-users] Polymer not diffusing into membrane

2014-08-12 Thread Alex s
Alex > Date: Tue, 12 Aug 2014 17:15:25 -0400 > From: jalem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Polymer not diffusing into membrane > > > > On 8/12/14, 1:35 PM, Alex s wrote: > > I've run it for 200 ns which I think is long enough al

Re: [gmx-users] Polymer not diffusing into membrane

2014-08-12 Thread Alex s
lation? Are you sure it is long enough to see what you > want to see? > On 12 Aug 2014 07:15, "Alex s" wrote: > > > Dear Gromacs users > > I'm not sure if this a question suitable for this forum but I would > > greatly appreciate it if you can help me in

[gmx-users] Polymer not diffusing into membrane

2014-08-11 Thread Alex s
Dear Gromacs users I'm not sure if this a question suitable for this forum but I would greatly appreciate it if you can help me in anyway regarding this issue. I've have a system made up of a lipid bilayer, water and a single chain polymer. My aim is to place the polymer just above the lipid bil