[gmx-users] Coul-14, LJ-14 and RF-excl definitions (2)

[pascal.baillod at epfl.ch]

Dear developers, 

Could somebody please tell me if I understood the following correctly (if the
statements below are correct in gromacs)?

Excluded bonded at pairs:

Pairs i to i+1   No non-bonded terms, all in bonded terms?
Pairs i to i+2   No non-bonded terms, all in bonded terms?
Pairs i to i+3   No non-bonded terms, all in bonded terms?
Pairs i to i+4   Coul-14 to account for bonded i to i+4 interaction?
                 LJ-14 to account for bonded i to i+4 interaction?

Rf-excl : Reaction field correction "Krf*Rij^2 - Crf" for ALL excluded at pairs
mentioned above? 

For non bonded at pairs, the reaction field correction is included in the
Coul-SR and Coul-LR terms?

I would also like to thank David van der Spoel and Xavier Periole for their very
helpful information on protein-solvent interaction energy, bringing answers
beyond expectation to my previous question!!

Thanks a lot !!!

Pascal 



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Pascal Baillod (PhD student) 
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Swiss Federal Institute of Technology EPFL	        Tel: +41-(0)21-693-0322
Institute of Chemical Sciences and Engineering ,	Fax: +41-(0)21-693-0320
Laboratory of Computational Chemistry and Biochemistry	pascal.baillod at epfl.ch
Room BCH 4121, Avenue Forel,	                        http://lcbcpc21.epfl.ch
CH-1015 Lausanne	
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