AMBER Archive (2002)

Subject: RE: Carnal BUG?? --- How can I get the correct residue number?

From: William Wei (william_at_phm.utoronto.ca)
Date: Thu May 02 2002 - 11:09:21 CDT

Hi, amber users,

Attend to this problem. I am wondering how can I get the residue number?
Usually I get the residue number from the command "desc" in leap, the atom
ID number by reading from sybyl. Now after I do the dynamics, I want to know
the movement of some residues or some atoms, then how can I know the number
for certain residues or atoms? Is there any easy way to get it? If I have no
sybyl, how can I get the atom ID? Thank you for your attention.

Have a good day.

William.

-----Original Message-----
From: Bill Ross [mailto:ross_at_cgl.ucsf.EDU]
Sent: Wednesday, May 01, 2002 9:55 PM
To: william_at_phm.utoronto.ca
Subject: Re: Carnal BUG??

        295-375)|(RES 395-441)|(RES 451-496)) );
        ---------------
        295-375)|(RES 395-441)|(RES!451-496)) );

If you send your input files (just 1 inpcrd/restrt for coords) I
can look into it.

By the way, I think this form would work too:

  (RES 295-375,395-441,451-496)

Bill Ross