[MMTK] adding blocking groups and forcefields term

Osvaldo Martin aloctavodia at gmail.com
Mon Feb 21 17:39:12 UTC 2011


Hello everybody,

I have a "couple" of questions (maybe "to naive" questions).

1) How should I proceed in order to construct a protein from a PDB file and
adding terminal blocking groups (like ACE and NME)
2) It is possible to completely "turn off" electrostatic and/or VdW
attractive energy terms?
3) MMTK support some-kind of implicit solvatation?


Thanks in advance.
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