Fix QM/MM memory allocation error
[namd.git] / src / MoleculeQM.C
2018-07-26 DavidFix QM/MM memory allocation error 00/4400/1
2017-07-17 David HardyMerge "Oops, fix bad path for namdcph.tcl"
2017-07-17 David HardyMerge "Actual example for constant pH using a protein...
2017-07-17 David HardyMerge "Additional example for restarting constant pH"
2017-07-17 David HardyMerge "Initial commit for constant pH (namdcph)"
2017-07-14 melomcrCombined QM/MM updates. 80/2780/6
2017-01-10 Jim PhillipsAdd space in nested template to appease xlC compiler.
2016-11-24 Jim PhillipsFrom Marcelo Melo: Fixed bug in execution of user-defin...
2016-11-14 Jim PhillipsFrom Marcelo Melo, changes to the execution of selected...
2016-09-29 Jim PhillipsReplace "not" and "and" with "!" and "&&" for MSVC...
2016-09-29 Jim PhillipsQM/MM interface from Marcelo Melo.