[gmx-users] Perturbation from/to dummies

[Anton Feenstra]

Ing. Vojtěch Spiwok wrote:
> Thanks a lot for reply
>  
> I just wanted to ask wether mass of the atom should be
> also perturbed, and if so, how can one do MD with zero-
> mass atoms ? Such atom types could be generated by
> modification of ffgmx.atp and new residue must be added
> (in case of aminoacid mutation it should be some glycine
> with dummy sidechain). Is it correct ?

No - you cannot have atoms with mass zero.


-- 
Groetjes,

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