Re: [AMBER] problems with input file preparation

From: David Case <>
Date: Sun, 29 Jan 2017 13:44:28 -0500

On Sun, Jan 29, 2017, sunyeping wrote:

> source /app/build/amber16/dat/leap/cmd/oldff/leaprc.ff99SB

> I don't have amber sander installed in my system....

Are you sure about this? If you have an amber16 directory, you would have
to have gone out of your way to avoid installing sander.

Using sander would make it much easier to debug what might be going on
in the dynamics.


AMBER mailing list
Received on Sun Jan 29 2017 - 11:00:02 PST
Custom Search