General Topics

Announcement's	Replies	Views	Last Action
Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups	0	1715	Jun 18th 5:01 pm Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload	0	13620	Dec 14th 2:51 pm Edoapra

Thread Title	Replies	Views	Last Action
Installing ECCE Client	1	2319	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	1	2633	Aug 2nd 5:03 pm Bert
Excited state calculation	2	2118	Aug 2nd 5:03 pm Niri
eastimaed standard error in QM/MM free energy perturbation method	1	2751	Aug 2nd 5:02 pm Bert
to generate topology file for qmmm	2	2263	Aug 2nd 5:01 pm Bert
vdW parameter unit for NWCHEM	1	2192	Aug 2nd 5:00 pm Bert
nwchem hangs before dft scf	2	2507	Aug 2nd 4:52 pm Bert
Ionization potential of Pd using ECP28MDF	4	2823	Jul 21st 7:47 pm Brynetan
qmmm free energies	3	2509	Jul 20th 5:38 pm Marat
what is the unit of "oscillator strength"	1	8312	Jul 7th 12:16 pm Guest -
"too many files open" error	1	3098	Jul 6th 3:14 pm Bert
ROMP2 calculation	1	2654	Jul 6th 3:10 pm Bert
read basis set	3	4119	Jul 6th 3:07 pm Bert
QM/MM with no MM parameters	2	2109	Jul 1st 12:39 am TeoT
Calculating Energies and Enthalpies	1	6926	Jun 28th 10:23 am Guest -
ECP60MDF	7	4989	Jun 22nd 2:17 pm Guest -
Question about ONIOM/QMMM	0	2229	Jun 21st 2:35 pm Guest -
qmmm dynamics	3	2243	Jun 17th 10:21 pm Guest -
How to convert AMBER(xleap) format atom name to NW amber format	1	3574	Jun 17th 9:20 am Marat
qmmm free energies	3	2321	Jun 13th 9:36 am Guest -
SODFT frequencies	1	2603	Jun 8th 5:35 pm Niri
Question about qmmm calcualtions	1	2111	Jun 1st 11:44 am Marat
Starting a thread	7	3517	May 11th 1:55 pm Bert
how to generate .cube files at the multiple iterations	2	2905	May 5th 1:25 pm Bert
BSSE issue: atoms with ecp basis	1	3350	Apr 22nd 4:58 pm Bert

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