I need anything in my input file?
Thanks,
Nathan
- Original Message -
From: Vitaly V. Chaban vvcha...@gmail.com
To: gmx-users gmx-us...@gromacs.org
Sent: Sunday, August 23, 2015 10:36:12 AM
Subject: Re: [gmx-users] simulations of ice beginning to spin
I suggest you to make
- Original Message -
From: Vitaly V. Chaban vvcha...@gmail.com
To: gmx-users gmx-us...@gromacs.org
Sent: Sunday, August 23, 2015 10:36:12 AM
Subject: Re: [gmx-users] simulations of ice beginning to spin
I suggest you to make a movie...
Maybe, indeed, something is wrong with triclinic box definition
- Original Message -
From: Vitaly V. Chaban vvcha...@gmail.com
To: gmx-users gmx-us...@gromacs.org
Sent: Sunday, August 23, 2015 10:36:12 AM
Subject: Re: [gmx-users] simulations of ice beginning to spin
I suggest you to make a movie...
Maybe, indeed, something is wrong with triclinic box
] simulations of ice beginning to spin
Hello Nathan,
Did you set comm-mode and nstcomm
http://manual.gromacs.org/online/mdp_opt.html#run in your mdp file?
Best,
Eric
On Thu, Aug 20, 2015 at 3:37 PM, Nathan K Houtz nho...@purdue.edu wrote:
Hello,
I'm sorry to submit a query twice, but I have
results. Does anything
else come to mind?
Thanks for your help,
Nathan Houtz
- Original Message -
From: Eric Smoll ericsm...@gmail.com
To: gmx-us...@gromacs.org
Sent: Thursday, August 20, 2015 5:53:18 PM
Subject: Re: [gmx-users] simulations of ice beginning to spin
Hello Nathan,
Did you
Hello,
I'm sorry to submit a query twice, but I have not received a reply since last
week. The original message is below. As the subject line states, my simulations
are developing a rotation that I cannot explain. I was wondering if the box
size could be an issue, so I redid both simulations
Hello Nathan,
Did you set comm-mode and nstcomm
http://manual.gromacs.org/online/mdp_opt.html#run in your mdp file?
Best,
Eric
On Thu, Aug 20, 2015 at 3:37 PM, Nathan K Houtz nho...@purdue.edu wrote:
Hello,
I'm sorry to submit a query twice, but I have not received a reply since
last week.