[gmx-users] RE: [gmx-user]Error by pdb2gmx (Dallas

[佘安奇]

Dear Dallas:
   Thanks a lot for your reply.
   But I didn't quite understand "no function types defined in your bonds, angles and dihedrals". Could you give more details? 
   
Angel

> 
> Today's Topics:
> 
>    1. RE: [gmx-user]Error by pdb2gmx (Dallas
> B. Warren)
>    2. Re: Virial and Pressure (Mark
> Abraham)
>    3. add missing atom (you zou)
>    4. Gromacs 3.3.3 segmentation fault on
> SLES10.2 x86_64    Xeon
>       architecture - Intel Compilers &
> Intel MKL
>       (Juan Alejandro Palomino Benito)
>    5. Re: Gromacs 3.3.3 segmentation fault
> on SLES10.2 x86_64    Xeon
>       architecture - Intel Compilers &
> Intel MKL (David van der Spoel)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Fri, 28 May 2010 12:28:04 +1000
> From: "Dallas B. Warren" <Dallas.Warren at pharm.monash.edu.au>
> Subject: RE: [gmx-users] [gmx-user]Error by pdb2gmx
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID:
>     <89907EA1DCFB7548A431C13A270F9DD50ABDC294 at prk-exch-01.vcp.local>
> Content-Type: text/plain; charset=utf-8
> 
> You have no function types defined in your bonds, angles
> and dihedrals.
> 
> Catch ya,
> 
> Dr. Dallas Warren
> Drug Delivery, Disposition and Dynamics
> Monash Institute of Pharmaceutical Sciences, Monash
> University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at pharm.monash.edu.au
> +61 3 9903 9167
> ---------------------------------
> When the only tool you own is a hammer, every problem
> begins to resemble a nail. 
>