Re: [AMBER] Installing Amber

From: David Case <>
Date: Thu, 26 Jan 2017 08:21:50 -0500

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.


AMBER mailing list
Received on Thu Jan 26 2017 - 05:30:05 PST
Custom Search