On 3/12/13 5:14 AM, l@utwente.nl wrote:
Hallo Justin,
Thank you for your reply, I uploaded the images, Please find following the link
below,
start box:
http://s1279.beta.photobucket.com/user/Li_Liu/media/image0_zpsf95d10fe.jpeg.html?filters[user]=134822327&filters[recent]=1&filters[publi
Lemkul [jalem...@vt.edu]
Sent: Monday, March 11, 2013 10:06 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] mdrun WARING and crash
On Monday, March 11, 2013, wrote:
> Hallo Justin,
>
> Thank you for your comments.
> Taking your suggestions, I set nrexcl=1, and commen
x-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf
of Justin Lemkul [jalem...@vt.edu]
Sent: Monday, March 11, 2013 10:06 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] mdrun WARING and crash
On Monday, March 11, 2013, wrote:
> Hallo Justin,
>
> T
Justin Lemkul [
> jalem...@vt.edu ]
> Sent: Thursday, February 28, 2013 3:02 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] mdrun WARING and crash
>
> On 2/28/13 6:59 AM, l@utwente.nl wrote:
> > Hallo Justin,
> >
> > Thank you for you help.
for GROMACS users
Subject: Re: [gmx-users] mdrun WARING and crash
On 2/28/13 6:59 AM, l@utwente.nl wrote:
> Hallo Justin,
>
> Thank you for you help. I have read the previous discussions on this topic,
> which is very helpful.
> The link is:
> http://gromacs.5086.n6.nabb
On 2/28/13 6:59 AM, l@utwente.nl wrote:
Hallo Justin,
Thank you for you help. I have read the previous discussions on this topic,
which is very helpful.
The link is:
http://gromacs.5086.n6.nabble.com/What-is-the-purpose-of-the-pairs-section-td5003598.html
Well, there are still something
cs.org] on behalf
of Justin Lemkul [jalem...@vt.edu]
Sent: Wednesday, February 27, 2013 4:12 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] mdrun WARING and crash
On 2/27/13 9:43 AM, l@utwente.nl wrote:
> Dear Justin,
>
> Thank you for your reply. I have some other
On 2/27/13 9:43 AM, l@utwente.nl wrote:
Dear Justin,
Thank you for your reply. I have some other questions,
1) Is it allowed to set nrexcl=0 in topology file in order to make every
coarse-grained particles interact with each.
Are there bonded interactions? If so, such an exclusion se
[jalem...@vt.edu]
Sent: Tuesday, February 26, 2013 6:05 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] mdrun WARING and crash
On 2/26/13 11:57 AM, l@utwente.nl wrote:
> Dear all,
>
> I got WARNING after mdrun, which says:
>
> "WARNING: Listed nonbonded
On 2/26/13 11:57 AM, l@utwente.nl wrote:
Dear all,
I got WARNING after mdrun, which says:
"WARNING: Listed nonbonded interaction between particles 794 and 797
at distance 3f which is larger than the table limit 3f nm.
This is likely either a 1,4 interaction, or a listed interaction insid
Dear all,
I got WARNING after mdrun, which says:
"WARNING: Listed nonbonded interaction between particles 794 and 797
at distance 3f which is larger than the table limit 3f nm.
This is likely either a 1,4 interaction, or a listed interaction inside
a smaller molecule you are decoupling during a
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