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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 1377 Dec 14th 2:51 pm
Edoapra

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vacuo directive in MD
Started By : Guest -
1 1623 Aug 26th 2:06 pm
Guest -
metals with prepare
Started By : Guest -
0 1464 Aug 25th 5:28 am
Guest -
Problem with "Save Preferences"
Started By : HUWagner
1 1772 Aug 19th 3:14 pm
Bert
Dimension msa too small
Started By : Guest -
1 2121 Aug 19th 3:05 pm
Bert
run DFT using ROHF wavefunctions
Started By : Guest -
1 2368 Aug 18th 6:16 am
Niri
Installing ECCE Client
Started By : Guest -
1 2034 Aug 16th 1:55 pm
Bert
How/where can I get a pdf copy of the user' manual/programmer's guide for NWChem 6.0
Started By : Guest -
1 2369 Aug 2nd 5:03 pm
Bert
Excited state calculation
Started By : Rand
2 1858 Aug 2nd 5:03 pm
Niri
eastimaed standard error in QM/MM free energy perturbation method
Started By : Guest -
1 2432 Aug 2nd 5:02 pm
Bert
to generate topology file for qmmm
Started By : Guest -
2 2001 Aug 2nd 5:01 pm
Bert
vdW parameter unit for NWCHEM
Started By : Yt82
1 1927 Aug 2nd 5:00 pm
Bert
nwchem hangs before dft scf
Started By : Pvallett
2 2148 Aug 2nd 4:52 pm
Bert
Ionization potential of Pd using ECP28MDF
Started By : Brynetan
4 2471 Jul 21st 7:47 pm
Brynetan
qmmm free energies
Started By : Guest -
3 2181 Jul 20th 5:38 pm
Marat
what is the unit of "oscillator strength"
Started By : Guest -
1 6611 Jul 7th 12:16 pm
Guest -
"too many files open" error
Started By : Matrix2010
1 2742 Jul 6th 3:14 pm
Bert
ROMP2 calculation
Started By : Guest -
1 2197 Jul 6th 3:10 pm
Bert
read basis set
Started By : Guest -
3 3262 Jul 6th 3:07 pm
Bert
QM/MM with no MM parameters
Started By : TeoT
2 1795 Jul 1st 12:39 am
TeoT
Calculating Energies and Enthalpies
Started By : Guest -
1 5549 Jun 28th 10:23 am
Guest -
ECP60MDF
Started By : Brynetan
7 4615 Jun 22nd 2:17 pm
Guest -
Question about ONIOM/QMMM
Started By : Guest -
0 1923 Jun 21st 2:35 pm
Guest -
qmmm dynamics
Started By : Guest -
3 1903 Jun 17th 10:21 pm
Guest -
How to convert AMBER(xleap) format atom name to NW amber format
Started By : Xiaosy567
1 3103 Jun 17th 9:20 am
Marat
qmmm free energies
Started By : Guest -
3 1990 Jun 13th 9:36 am
Guest -
SODFT frequencies
Started By : Guest -
1 2217 Jun 8th 5:35 pm
Niri

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