[gmx-users] buckingham potentials

[delara aghaie]

Dear Justin
I hope all is well with you. I have faced a problem. I connect to imperial college london from my conunty to do the simulations. Today I faced an strange problem.
every command wich I want to use for ex: g_msd_mpi or make_ndx_mpi
 I get this fatal error:
Fatal error:
Library file aminoacids.dat not found in current dir nor in default directories.
(You can set the directories to search with the GMXLIB path variable)
 
It is strange because my system is DPPC monolayer and does not have nothing to do with proteins !!!
 
your help would be greatly appreciated/
Best regards
Delara



--- On Wed, 12/22/10, Justin A. Lemkul <jalemkul at vt.edu> wrote:


From: Justin A. Lemkul <jalemkul at vt.edu>
Subject: Re: [gmx-users] buckingham potentials
To: "Gromacs Users' List" <gmx-users at gromacs.org>
Date: Wednesday, December 22, 2010, 8:04 AM




sreelakshmi ramesh wrote:
> Dear justin,
>                    I have no clues  about rewriting a force field so i think i can t proceed with this anymore.
> 
> thanks a lot for your patient reply.

For the future, you will waste a lot less time (your own, and that of those who are trying to help you) if you provide a clear, concise statement of what you hope to accomplish in your very first post.  You began this adventure seeking help on how to (generically) use Buckingham potentials.  What you should have asked was how to use Buckingham potentials within the Gromos force field.  Then, instead of swapping ten emails, you would have received your answer in one.

-Justin

-- ========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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