[gmx-users] Gromos87

Justin A. Lemkul jalemkul at vt.edu
Thu Apr 12 18:37:57 CEST 2012

Marzinek, Jan wrote:
> ------------------------------------------------------------------------
> *From:* Shima Arasteh [shima_arasteh2001 at yahoo.com]
> *Sent:* Thursday, April 12, 2012 4:53 PM
> *To:* Marzinek, Jan
> *Subject:* Re: [gmx-users] Gromos87
> Dear Jan,
> I downloaded the file and put it in my working space but does not appear 
> in my force filed selections? How come?
> What's wrong with it?
> Cheers,
> Shima
> You should have downloaded not a single file but the whole force field 
> which is a folder and the copy it to the directory you working in. As 
> Felix mentioned it could be number:
> 17: [DEPRECATED] Gromacs force field (see manual)
> so you do not have to download it. Ensure this is a version you need.

And please heed the warnings in the manual.  This force field is derived from 
Gromos87 but many of its contents are not well documented.  There are far better 
force field that one can (and should) use.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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