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Thread Title Replies Views Last Action Forum
How to visualize the trjactory generated by NWChem
Started By : Wjb0920
6 4847 Jan 4th 10:51 pm
Nfrik
Running NWChem
enjoyable simulation and time analysis
Started By : Wjb0920
2 2586 Dec 27th 2:37 pm
PhilipaNjau
QMMM
Double wide sampling in free energy calculation
Started By : Wjb0920
2 2729 Dec 18th 11:37 pm
Wjb0920
QMMM
How to understand the correspondence between practical and theoretical free energy computation?
Started By : Wjb0920
2 5202 Nov 20th 7:22 pm
Wjb0920
QMMM
Different free energies for crown example
Started By : Wjb0920
0 1831 Nov 13th 4:20 am
Wjb0920
QMMM
Why NWChem does not offer TIP3P water model?
Started By : Wjb0920
2 2264 Aug 15th 10:57 am
Norbertokv
QMMM
explain the modify directive
Started By : Wjb0920
1 1743 Feb 21st 10:38 pm
Wjb0920
QMMM
Torque
Started By : Wjb0920
5 2443 Feb 9th 7:12 pm
Wjb0920
Compiling NWChem
ggg
Started By : Wjb0920
5 2308 Feb 4th 8:40 pm
Wjb0920
Compiling NWChem
The excitation energy on EOM-CCSD QM/MM calculation?
Started By : Wjb0920
3 4065 Nov 13th 5:15 am
Wjb0920
QMMM
Error in NWChem Analysis Module
Started By : Wjb0920
2 2091 Oct 23rd 6:38 pm
Wjb0920
Running NWChem
NAN occurred in NWchem example simulation
Started By : Wjb0920
2 1748 Oct 23rd 6:37 pm
Wjb0920
Running NWChem

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