Re: [AMBER] Installing Amber

From: Karla Galdamez <kgalda.berkeley.edu>
Date: Thu, 26 Jan 2017 23:08:06 -0800

Thank you very much David for your kind message and further information
regarding the PIMD related code. I will take a further look!
Best wishes,
Karla

On Thu, Jan 26, 2017 at 5:21 AM, David Case <david.case.rutgers.edu> wrote:

> On Wed, Jan 25, 2017, Karla Galdamez wrote:
> >
> > Thank you very much for your kind message. I have found the files you
> > referred : lscivr_vars.F90, lsc_init.F90 and lsc_xp.F90.
> > File 'lsc_init.F90' calls for PIMD subroutine, would you know its
> location?
> > I notice by looking into the three .F90 files that the only form of the
> > correlation function corresponds to the Kubo-transformed version and not
> > others such as the standard or symmetrized forms, is this correct or are
> > the other associated versions treated elsewhere?
>
> Just to be clear: I don't know the answers to any of your questions. All
> of the PIMD-related code will be in files in the same sander directory.
> I'm
> guessing that only a few options were ever implemented, and that you are
> the
> first person to use this code in some time.
>
> ....dac
>
>
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>



-- 
Karla M. Galdamez, Ph.D
Affiliate Researcher
Physics Department
University of California at Berkeley
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Received on Thu Jan 26 2017 - 23:30:02 PST
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