[gmx-users] Re: Energy minimizations taking really, really long?
pqah123 at gmail.com
Wed Oct 23 05:30:36 CEST 2013
It depending the time steps that u used or the molecule that u had is
big..Thats why ur EM take a long time..Is better take a long time
rather than quick but had a lot of errors..
On Wed, Oct 23, 2013 at 9:59 AM, Nimmy McNimmerson [via GROMACS]
<ml-node+s5086n5011918h42 at n6.nabble.com> wrote:
> I have some simulations of inserting a probe molecule into a bilayer. Some
> molecules work fine. However, a certain class of molecules is taking an
> absurdly long time to run the exact same simulation, even though I energy
> minimized the molecules individually beforehand and there are no overlaps.
> What might be going wrong?
> gmx-users mailing list [hidden email]
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to [hidden email].
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> If you reply to this email, your message will be added to the discussion
> To start a new topic under GROMACS Users Forum, email
> ml-node+s5086n4370410h94 at n6.nabble.com
> To unsubscribe from GROMACS, click here.
Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
alternative email : syafiqahabdulghani at gmail.com @ GS33669 at mutiara.upm.edu.my
View this message in context: http://gromacs.5086.x6.nabble.com/Energy-minimizations-taking-really-really-long-tp5011918p5011919.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
More information about the gromacs.org_gmx-users