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12 Open 1 Closed
12 Open 1 Closed
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Issues list

Heavy metal adsorption
#44 opened Nov 25, 2022 by lzhzzzzwill
2
Log file recomendations for py-mcmd
#41 opened Apr 4, 2022 by bc118
3
Add note to NAMD.conf file for perfect electrostatic matching
#40 opened Apr 3, 2022 by bc118
Write input files to log fiel
#39 opened Apr 3, 2022 by jpotoff
In GOMC, Consider adding EqSteps and AdjSteps to 1 after the first cycle
#38 opened Apr 2, 2022 by bc118
Does not allow molecules to be limited to the local box in GOMC and move in NAMD in the GEMC and GCMC ensembles
#37 opened Apr 2, 2022 by bc118
Allow the full path entered for the NAMD/GOMC binary files in the json file for running the simulation.
#36 opened Apr 1, 2022 by bc118
Add and Error check if NAMD version 2.14 is actually being used
#35 opened Apr 1, 2022 by bc118
Add better warnings to energy differences between GOMC/NAMD
#34 opened Apr 1, 2022 by bc118
Manually created xtra files in the NAMD or GOMC folders cause a warning.
#33 opened Mar 31, 2022 by bc118
Add error for failing NAMD and GOMC simulations
#32 opened Mar 24, 2022 by bc118
GPU mode - GEMC simulations fail in NAMD
#22 opened Jun 13, 2021 by bc118
1
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