Marzinek, Jan wrote:
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*From:* Shima Arasteh [shima_arasteh2...@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
--
========================================
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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