[gmx-users] grompp problem

[Anton Feenstra]

David wrote:

> On Thu, 2003-10-16 at 07:35, Vivek Raut wrote:
> 
>>WARNING 1 [file "1.top", line 1371]:
>>   No default Bond types, using zeroes
>>
> 
> probably some weird residues in your topology 
> check at line 1371 which atoms are listed there and find out why these
> aren't in the force field files.

I see them generally in my P450 heme proteins, where a bond is created
by pdb2gmx between the heme iron and a cysteine sulphur. However, in
the Gromos (G43a1) ff, there is no (default) type for this bond.


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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