[AMBER] pmemd.cuda:command not found

From: Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
Date: Sun, 5 Jan 2020 12:58:32 +0530

Respected group members,

I wanted to run a minimization but encountered the following error while
using the pmemd.cuda command:
ssr.clogin72:~/amber18/bin> pmemd.cuda -O -i Min.in -o Min.out -p
lig7.prmtop -c lig7.rst7 -r Min.ncrst \ -inf Min.mdinfo

If 'pmemd.cuda' is not a typo you can use command-not-found to lookup the
package that contains it, like this:
    cnf pmemd.cuda

ssr.clogin72:~/amber18/bin> cnf pmemd.cuda

pmemd.cuda: command not found

This is the first time I am using pmemd.cuda command.

Please suggest what could possibly be wrong.

Thanking you in advance.
AMBER mailing list
Received on Sat Jan 04 2020 - 23:30:02 PST
Custom Search