[gmx-users] How to convert coarse-grained to fine-grained
Kieu Thu Nguyen
kieuthu2212 at gmail.com
Fri Dec 21 08:53:32 CET 2012
But, are there any way using this tool in Gromacs v4.5 ? Since i don't want
to remove version 4.5 and install version 3.3.1
Thank All !
On Fri, Dec 21, 2012 at 6:41 AM, Kieu Thu Nguyen <kieuthu2212 at gmail.com>wrote:
> Thank Justin so much ! :-)
> On Thu, Dec 20, 2012 at 11:54 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>> On 12/20/12 11:38 AM, Kieu Thu Nguyen wrote:
>>> Dear All,
>>> I convert cg to fg representation by command lines
>>> g_fg2cg -pcg cg.top -pfg fg.top -c cg.gro -n 1 -o fg.grog_fg2cg -pcg
>>> cg.top -pfg fg.top -c cg.xtc -n 1 -o cg2fg.xtc
>>> But there is a notice "command not found" in the terminal.
>>> I see this command used in Gromacs v3.3.1
>>> Does it not run in Gromacs v4.5 ?
>> g_fg2cg is not an official Gromacs program; it is part of a modified
>> 3.3.1 distribution provided by the MARTINI developers. Their tutorial
>> describes installing and using the modified version.
>> Justin A. Lemkul, Ph.D.
>> Research Scientist
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
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