[gmx-users] units of bonding parameters in ffG43a2bon.itp

Andrey V Golovin golovin at genebee.msu.su
Thu Aug 5 18:00:42 CEST 2004


Dear Aina,

Thursday, August 5, 2004, 5:55:09 PM, you wrote:

>> >dear gromacs users,
>> >
>> >could anybody tell me which are the units of ffG43a2bon.itp? for the bond
>> >parameters? i mean gb_XX? B0[N] cannot be given in angsroms!!
>>
>> nm
>>
>> >thank you!
>> >
>> >_______________________________________________

AQ> and CB? 

Kj/mol/nm^4

F= Kj/mol/nm = CB*(r^2-b^2)*r

-- 
Best regards,
 Andrey                            mailto:golovin at genebee.msu.su




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