Re: [AMBER] Failed to generate parameter file

From: David A Case <>
Date: Thu, 3 Jul 2014 08:19:33 -0400

On Thu, Jul 03, 2014, Vishal Nemaysh wrote:
> I am doing practice from the tutorial *SUSTIVA
> Amber module* by using following link (
> FATAL: Atom .R<VAL 241>.A<C 3> does not have a type.

The tutorial asks you to type "tleap -f leaprc.ff99SB", but this leaprc file
has been moved to "oldff". You should get an error if you follow the tutorial

Two points:

1. You can fix things up by subsituting "oldff/leaprc.ff99SB" for
"leaprc.ff99SB". We'll get the tutorial fixed.

2. Pay attention when you are running the tutorials. They can get out of
date, and are best treated as general guides for how to do things, not
as recipes that can be followed blindly. Learning how to read Amber error
messages and recover from this is an important skill you will need to learn.

Thanks for the report...good luck....dac

AMBER mailing list
Received on Thu Jul 03 2014 - 05:30:02 PDT
Custom Search