Re: charmm27 fatal error

From: arijit_r_at_chem.iitkgp.ernet.in
Date: Mon Dec 19 2005 - 22:24:36 CST

• Next message: Manori Indira Jayasinghe: "define abf1 and abf2 for CM of water and CM of molecule"
• Previous message: Joshua D. Moore: "flipDCD and Unit Cell information?"
• In reply to: Arturas Ziemys: "charmm27 fatal error"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Arturas,
     parameter file is "par_all27_prot_lipid.inp" .
"top_all27_prot_lipid.inp" is the topology file.
                                                 arijit
                            

On Mon, 19 Dec 2005, Arturas Ziemys wrote:

> HI,
>
> I'm new to NAMD (but nor MD). I test NAMD 2.6b1 with 1UBQ tutorial and my own protein in water box.
>
> In all cases I get fatal error (see output below). How can it be explained ?
>
> With best
> Arturas
>
> ...............................................................
> Info: COORDINATE PDB ubq_wb.pdb
> Info: STRUCTURE FILE ubq_wb.psf
> Info: PARAMETER file: CHARMM format!
> Info: PARAMETERS top_all27_prot_lipid.inp
> Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS
> FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE top_all27_prot_lipid.inp
>
> LINE=*27 1*
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE top_all27_prot_lipid.inp
> LINE=*27 1*
>
> Charm++ fatal error:
> FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE top_all27_prot_lipid.inp
>
> LINE=*27 1*
>
>
> abnormal program termination
>
> .................................................................
>
>
>

-- 
_____________________________________________________________________
_____________________________________________________________________
Arijit Roy                      
Junior Research Fellow          
Theoretical Chemical Dynamics Lab   
Department of Chemistry         
Indian Institute of Technology            
Kharagpur 721302    
Ph. : 91 3222 283336 (lab) /91 9434368905 (m)
E-mail :roy_arjt_at_yahoo.com /arijit_r_at_chem.iitkgp.ernet.in
_____________________________________________________________________
   

• Next message: Manori Indira Jayasinghe: "define abf1 and abf2 for CM of water and CM of molecule"
• Previous message: Joshua D. Moore: "flipDCD and Unit Cell information?"
• In reply to: Arturas Ziemys: "charmm27 fatal error"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:12 CST