Hi,
On Sat, Mar 7, 2015 at 6:45 PM, David A Case <case.biomaps.rutgers.edu> wrote:
> On Fri, Mar 06, 2015, Sanmeet Chahal wrote:
>>
>> Is there a way to read two molecules that are written in the same .mol2
>> file?
>
> I don't think the loadMol2 command in Amber can do this; just split the mol2
> file you into two different files.
FYI you can do this easily with cpptraj:
parm benzDimerSep-new3.MOL2
trajin benzDimerSep-new3.MOL2
trajout separate.mol2 multi
-Dan
>
> ...dac
>
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Mon Mar 09 2015 - 07:30:10 PDT
