Minor bug fixes¶
An issue has been fixed where failure to assign atom vdw parameters were ignored resulting in calculations being performed with values of zero being assigned as the parameters. The effect of this fix can be observed in calculations performed using SZYBKI, FREEFORM, OptLigandInDU, and OptimizeDU.
An issue causing the
optimizedu --help, or any related commands, to segfault has been fixed.