[gmx-users] 1-4 interaction and Buckingham potential

[Markus Kaukonen]

Dear All,

How is the 1-4 interaction treated when using Buckingham potential
for vdw type of interactions in gromacs?

As I understand from the manual one has to delete the [ pairs ]
section in the topology file (if present) and the
the scaling for 1-4 interaction will be 1.0.

Did I get it right?

Another issue is that whether the 1-4 scaling by 1.0 is correct or not
for Buckingham. Anybody with an opinion on this?

Terveisin, Markus

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-- 
--www=http://www.iki.fi/markus.kaukonen
--Markus.Kaukonen at iki.fi
--office: N102 Nano building FIN-02015 TKK
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---