[gmx-users] Fwd: dmso

[Anton Feenstra]

>> Hello gromacs Users,
>>
>>  
>>
>> I am facing some problems with the DMSO box I am trying to set up (in 
[...]
>> I am concerned about the Dihedral parameters and I would like to ask 
>> what are the parameters you are using for the dihedrals.

Internal coordinates in 'Gromacs DMSO' are frozen by keeping all distances
(i.e. those corresponding to bonds as well as angles) constant. So, there
is no corresponding dihedral, afaik. Otherwise, someone should take out
the Gromos manual and compare (no time for it now on my side, I'm afraid).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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