QMMM

Questions related to QM/MM calculations

Announcement's	Replies	Views	Last Action
Bug in Raman code Started By : Sean	0	291	Feb 2nd 5:45 pm Sean
NWChem 6.6: bug in geometry optimization Started By : Edoapra	0	365	Jan 28th 1:50 pm Edoapra
Sticky: NWChem 6.6 available for download Started By : Edoapra	0	3188	Oct 20th 3:12 pm Edoapra

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Thread Title	Replies	Views	Last Action
What is "Occ", "E", " r^2","Bnf" and "Vector" ? Started By : Guest -	1	1777	Nov 23rd 10:20 am Guest -
prepare task Started By : Shmakov I. A.	1	1414	Nov 22nd 9:25 pm Marat
the thm file in free energy calcualtions Started By : Guest -	0	1977	Aug 29th 11:58 am Guest -
QM/MM-fep Started By : Guest -	1	1597	Aug 18th 12:51 pm Guest -
AIMD/MM Started By : Guest -	1	1917	Aug 17th 2:53 pm Bylaska
how to calculate the interaction energy between ligand and protein Started By : Lmyiop	1	2722	Aug 17th 1:56 pm Guest -
force parameter format Started By : Guest -	1	1689	Aug 17th 1:31 pm Guest -

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