AMBER Archive (2004)

Subject: Re: AMBER: loading PDB problem in leap

• Next message: Guanglei Cui: "AMBER: xleap console message"
• Previous message: Robert Duke: "Re: AMBER: non-isotropic pressure scaling"
• In reply to: Suwipa saen-oon: "AMBER: loading PDB problem in leap"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Hello,

There is somthing wrong in your pdb file.

Check if there is no duplicates. If you system is complex, you need to put
TER at the end of ech molecules.

I hope it helps,

JIten

----- Original Message -----
From: "Suwipa saen-oon" <suwipa_at_atc.atccu.chula.ac.th>
To: <amber_at_scripps.edu>
Sent: Sunday, April 18, 2004 6:35 PM
Subject: AMBER: loading PDB problem in leap

> Dear AMBER Users
>
> I have problem while loading the pdb file in leap.
> Could anyone sugest me What is the problem causing this error and how
> to fix.
>
> > a = loadpdb test-mod1.pdb
> Loading PDB file: ./test-mod1.pdb
> !FATAL ERROR----------------------------------------
> !FATAL: In file [chirality.c], line 116
> !FATAL: Message: No C5' in aaOrig list
> !
> !ABORTING.
>
>
> thank you very much.
>
> Best regard
>
> Suwipa Saen-oon
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu

• Next message: Guanglei Cui: "AMBER: xleap console message"
• Previous message: Robert Duke: "Re: AMBER: non-isotropic pressure scaling"
• In reply to: Suwipa saen-oon: "AMBER: loading PDB problem in leap"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]