[gmx-users] grompp warning: No default Proper Dih. types, using zeroes

[David van der Spoel]

On Thu, 2003-07-10 at 16:06, Arturas wrote:
> I use default FF.
> 
ffgmx I assume?

try ffG43a1, (option 2)
if that doesn't work either, then come back with information on the
protein.

> ---------------------------->
> >> After grompp got the WARNINGS (below). All warings to Fe atom of HEME,
> >> which is linked to HIS. What is wrong ??
> 
> DvdS> which force field? Should work with ffgmx and ffG43a1
> 
> >> 
> >> calling /lib/cpp...
> >> processing topology...
> >> Generated 1125 of the 1326 non-bonded parameter combinations
> >> WARNING 1 [file "arp2.top", line 18640]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 2 [file "arp2.top", line 18641]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 3 [file "arp2.top", line 18642]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 4 [file "arp2.top", line 18643]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 5 [file "arp2.top", line 18644]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 6 [file "arp2.top", line 18645]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 7 [file "arp2.top", line 18646]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 8 [file "arp2.top", line 18647]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 9 [file "arp2.top", line 18648]:
> >>   No default Proper Dih. types, using zeroes
> >> WARNING 10 [file "arp2.top", line 18649]:
> >>   No default Proper Dih. types, using zeroes
> >> Cleaning up temporary file gromppp8lLnE
> >> Fatal error: Too many warnings, grompp terminated
> >> 
> >> Arturas
> >> 
> >> 
> >> 
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> 
> <---------------------------
> 
> Puikios dienos
> Arturas
> 
> http://biologija.vdu.lt/person/ziemar/index.html
> 
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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