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1 Replies
536 Views |
![]() by Arnim |
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Thermostat usage in Molecular dynamics
Started by JakubV |
1 Replies
376 Views |
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Gradient Convergence Control
Started by Dempsey |
0 Replies
867 Views |
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dipole moment from MD run
Started by sruta |
0 Replies
752 Views |
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ERROR in convgrep step
Started by martijn |
2 Replies
1127 Views |
![]() by martijn |
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1 Replies
1853 Views |
![]() by prasanta13 |
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UFF with external electric field
Started by JakubV |
0 Replies
1067 Views |
![]() by JakubV |
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2 Replies
1462 Views |
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2 Replies
6478 Views |
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2 Replies
1585 Views |
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8 Replies
3299 Views |
![]() by uwe |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
1990 Views |
![]() by dw1032 |
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Pointing jobex to use ridft_smp
Started by jfurness |
2 Replies
1730 Views |
![]() by jfurness |
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0 Replies
2341 Views |
![]() by imardio |
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3 Replies
5234 Views |
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1 Replies
5791 Views |
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0 Replies
4147 Views |
![]() by makhlaghi |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
4663 Views |
![]() by payelsahu |
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1 Replies
5000 Views |
![]() by gunnar.schmitz |
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Error in gradient step
Started by marand |
4 Replies
12040 Views |
![]() by christof.haettig |
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