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Displaying 8 results for: Varnon Posts
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| Thread Title | Replies | Views | Last Action | Forum |
| Running QM/MM calculation by charmm on ubuntu 12.04 Started By : Varnon |
10 | 1687 | Jul 16th 7:06 pm Zll |
Running NWChem |
| QM region input Started By : Guillaume |
14 | 1406 | Jun 13th 12:32 am Guillaume |
QMMM |
| I get error message 'Numerical result out of range' after 8-9 ours running Started By : Luisjromero |
2 | 1447 | Jan 26th 7:51 pm Luisjromero |
Running NWChem |
| geometry optimization output coordinates Started By : Nsa36 |
4 | 1101 | Oct 23rd 6:06 am Nsa36 |
QMMM |
| using new parameters for Mg2+ Started By : Tpirojsi |
4 | 1214 | Oct 18th 12:43 pm Tpirojsi |
QMMM |
| strange behavior on Driver module Started By : Varnon |
2 | 651 | Sep 27th 2:05 am Varnon |
General Topics |
| problem with qm/mm geometry optimisation Started By : Jacopo |
2 | 8168 | Jul 12th 2:56 am Jacopo |
QMMM |
| How to define different basis sets for the same kind of atom in QM/MM job? Started By : Varnon |
2 | 1011 | Jun 20th 7:48 am Varnon |
QMMM |
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