Re: [AMBER] installing resp on linux 64bit

From: FyD <>
Date: Thu, 26 Mar 2009 19:37:22 +0000

Dear Aditya Chhikara,

> I'm trying to install "resp", the program "Red" uses for calculating resp
> charges.
> When I try and compile resp using the make command, I get the following
> error message:
> ../Compile L1 -P resp.f
> /home/adi.chhikara/RED-III.1-Tools-Files/plep/src/MACHINE: No such file or
> directory.
> make: *** [resp.o] Error 1
> I am working on a Linux 64 system. Does anybody know if resp was designed to
> run on a linux 64 system, and if not, does anybody have a precompiled binary
> I could use on a Linux 64 system?

It looks like you use the RESP version from "plep" i. e. that .
There is also a version available .

In those two versions you need to copy a "machine" file (specific to a
computer system) in the corresponding src directory. Example for linux:
copy plep/src/Machine/Machine.linux_g77
into plep/src/MACHINE
(old way to compile AMBER)

To compile RESP from "plep" under 64 bits cpu, you need to remove the
option "-malign-double" from the MACHINE file (three occurences).

That being said these RESP versions are quite old. You should instead
use the last version available in the AmberTools

regards, Francois

AMBER mailing list
Received on Fri Mar 27 2009 - 01:17:13 PDT
Custom Search