Re: [AMBER] cpptraj: lie

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sun, 24 May 2015 11:30:53 -0600

On Sun, May 24, 2015 at 5:18 AM, George Tzotzos <gtzotzos.me.com> wrote:
> write interactions.agr INT[EELEC] INT[EVDW]
>
> 2. Shouldn’t separate INT[EELEC] and INT[EVDW] files be written out?

If you want them written to separate files you need two 'write' (or
'create') commands, e.g.:

write Eelec.dat INT[EELEC]
write Evdw.dat INT[EVDW]

-Dan

>
> Many thanks in advance for any clarification regarding the usage of LIE
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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
(801) 585-6208 (Fax)
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Received on Sun May 24 2015 - 11:00:02 PDT
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