Custom Search
--- ------------------------------------------ dr. sc. Antonija Tomić LBPMM, Institut Ruđer Bošković Bijenička cesta 54, 10000 Zagreb, Croatia Dana 11.01.2018 11:19, Lorenzo Gontrani je napisao(la): > What if you scale the charges of the atoms of interest? If you apply a > dielectric constant, you scale everything. > > Be aware that if you have charged systems, Ewald summation is not > correct > > > On 01/11/2018 11:18 AM, Antonija Tomić wrote: >> Dear Amber Community, >> >> I was wondering is there a way to scale (dim) electrostatic >> interactions >> just between certain pair of atoms without going into the code? >> >> Kind regards, >> Antonija >> >> >> >> _______________________________________________ >> AMBER mailing list >> AMBER.ambermd.org >> http://lists.ambermd.org/mailman/listinfo/amber > > -- > ========================================== > Lorenzo Gontrani > Research associate - EDXD group > University of Rome "La Sapienza" > ResearcherID: L-6061-2014 > Scopus Author ID: 6506613970 > OrcID:0000-0001-8212-7029 > > GSM +39 338 7615798 > Email lorenzo DOT gontrani AT uniroma1 DOT it > Webpage: http://webcaminiti/gontrani.html > ========================================= > Rispetta l'ambiente: se non è necessario, non stampare > questa e-mail > Protect the environment: do not print this e-mail, unless > necessary > > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Thu Jan 11 2018 - 03:00:02 PST