Subject: Source code for MC with Ewald sum

From: [email-masked]
Date: Wed, 15 Mar 2000 09:53:52 +0000

I am trying to get hold of source code for performing Monte Carlo
simulations on molecular/ionic periodic systems which includes an
implementation of Ewald, if anyone has or knows of such a source code (in
some flavour of C or FORTRAN) then could you get in touch with me. We need
to be able to edit the routines to include some non-standard MC procedures.

Thanks in anticipation. Will summarise if there are sufficient replies to
warrant it!

Scott Owens
[email-masked]

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From: Rafael Rodriguez Pappalardo <[email-masked]>
Date: Wed, 15 Mar 2000 16:06:49 +0000 (/etc/localtime)

> Thanks in anticipation. Will summarise if there are sufficient replies to
Check ftp://ftp.dl.ac.uk/ccp5/. There are several codes. Maybe some of
them fullfill your requierements.

Sincerely,

Dr. Rafael R. Pappalardo
Dept. Quimica Fisica, Fac. de Quimica, Univ. de Sevilla. 41012-Sevilla (Spain)
e-mail: [email-masked]