Project Filelist for nMOLDYN
File Release Notes and Changelog
Release Name: 3.0.4
No release notes
Change Log
This is nMOLDYN version 3.0.4: Optimization of nMOLDYN/Mis /findNestedDirectories function called at nMOLDYN start to check whether VMD, ncdump and ncgen are available. Much faster now. QHA analysis was debugged. The effective mode viewer GUI was redesigned Bug fix in AngularCorrelation and Angular VACF Adding of 'groupinglevel' keyword in group selection in order to focus selection at different level in a molecule (e.g. for a protein, atom, chemical fragment, residue, chain, whole protein) Debuggage of DL_POLY converter: the keywords can be now in lower or upper case. Spatial density was implemented but it is currently very very slow. A version controller was implemented to check whether a nMOLDYN script is launched using a newer version of nMOLDYN. This may trigger some conflicts when parsing some parameters that have changed slightly. Added some stability tests for AVACF, ISFG, EISF, ARA analysis.