[gmx-users] Using many index file in one command line
Kieu Thu Nguyen
kieuthu2212 at gmail.com
Tue May 28 05:51:45 CEST 2013
Thank Terry and Justin so much ! I got it :-)
On Tue, May 28, 2013 at 9:20 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 5/27/13 10:18 PM, Kieu Thu Nguyen wrote:
>> Dear users,
>> Is there command for using many different index.ndx files in one command
>> line ? I used -n flag many times and gromacs report error.
> No Gromacs program accepts multiple index files simultaneously. You must
> specify whatever groups you need in one index file. The .ndx format is
> just plain text; you can even just concatenate index files with cat.
> 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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