Search results

Misleading temperature variance output

Status: Open.

#24 In qusers/Q6;

· abrownless1 opened on Jan 13, 2026

Failed compilation with GNU Fortran (GCC 15.1.0)

Status: Open.

#23 In qusers/Q6;

· bananatana opened on Jul 3, 2025

scripts to help with LIE calculaitons

Status: Open.

#22 In qusers/Q6;

· JordiVillaFreixa opened on Jun 6, 2025

Issue with High Bond and Angle Energies Leading to NaN Coordinates When Using CHARMM22 Force Field

Status: Open.

#21 In qusers/Q6;

· AuroraHuangyj opened on Mar 6, 2025

Question about number of paths parameter in Q's forcefield.prm definition

Status: Open.

#20 In qusers/Q6;

· David-Araripe opened on Jun 24, 2024

strange behavior of LRF

Status: Open.

#19 In qusers/Q6;

· JordiVillaFreixa opened on Feb 6, 2024

Maybe a change in the default Coulomb constant could be good.

Status: Open.

#14 In qusers/Q6;

· esguerra opened on Mar 28, 2018

New release?

question

Status: Open.

#13 In qusers/Q6;

· acmnpv opened on Feb 5, 2018

Qdyn6 doesn't fail on NaN

Status: Open.

#7 In qusers/Q6;

· mpurg opened on Jan 11, 2018

qprep charge groups ambivalent indexing shows no error

Status: Open.

#5 In qusers/Q6;

· dblahanelson opened on Nov 28, 2017

Q6 needs intel/impi instructions

Status: Open.

#4 In qusers/Q6;

· dblahanelson opened on Nov 21, 2017

Mpi crushed in Q6 intel- Rackham cluster

bug

Status: Open.

#2 In qusers/Q6;

· klaudia-dais opened on Oct 25, 2017