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Thread Title Replies Views Last Action Forum
How to visualize the trjactory generated by NWChem
Started By : Wjb0920
6 5019 Jan 4th 9:51 pm
Nfrik
Running NWChem
enjoyable simulation and time analysis
Started By : Wjb0920
2 2672 Dec 27th 1:37 pm
PhilipaNjau
QMMM
Double wide sampling in free energy calculation
Started By : Wjb0920
2 2817 Dec 18th 10:37 pm
Wjb0920
QMMM
How to understand the correspondence between practical and theoretical free energy computation?
Started By : Wjb0920
2 5288 Nov 20th 6:22 pm
Wjb0920
QMMM
Different free energies for crown example
Started By : Wjb0920
0 1925 Nov 13th 3:20 am
Wjb0920
QMMM
Why NWChem does not offer TIP3P water model?
Started By : Wjb0920
2 2359 Aug 15th 9:57 am
Norbertokv
QMMM
explain the modify directive
Started By : Wjb0920
1 1834 Feb 21st 9:38 pm
Wjb0920
QMMM
Torque
Started By : Wjb0920
5 2502 Feb 9th 6:12 pm
Wjb0920
Compiling NWChem
ggg
Started By : Wjb0920
5 2372 Feb 4th 7:40 pm
Wjb0920
Compiling NWChem
The excitation energy on EOM-CCSD QM/MM calculation?
Started By : Wjb0920
3 4189 Nov 13th 4:15 am
Wjb0920
QMMM
Error in NWChem Analysis Module
Started By : Wjb0920
2 2141 Oct 23rd 5:38 pm
Wjb0920
Running NWChem
NAN occurred in NWchem example simulation
Started By : Wjb0920
2 1793 Oct 23rd 5:37 pm
Wjb0920
Running NWChem

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