[Bulk] RE: [gmx-users] No default Angle types, using zeroes
Yang Ye
leafyoung81-group at yahoo.com
Fri Dec 9 16:58:09 CET 2005
Hi, Robson
Sorry that I lost tracking of the this thread. May I know whether you
are using Amber FF port from Pande's group? Check's its website for the
solution.
Yang Ye
Dallas B. Warren wrote:
>Robson,
>
>It is exactly as the error message states, there are no angle types for
>what ever is on that line of the topology, so it simply uses zero.
>Check what is on that line, find out what atom types etc it is, then you
>can determine why there isn't an atom type for it in either the topology
>or in the forcefield.
>
>Catch ya,
>
>Dr. Dallas Warren
>Lecturer
>Department of Pharmaceutical Biology and Pharmacology
>Victorian College of Pharmacy, Monash University
>381 Royal Parade, Parkville VIC 3010
>dallas.warren at vcp.monash.edu.au
>+61 3 9903 9073
>---------------------------------
>When the only tool you own is a hammer, every problem begins to resemble
>a nail.
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>
--
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/
--
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/
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