hanatok / colvars Goto Github PK View Code? Open in Web Editor NEW This project forked from colvars/colvars 0.0 0.0 0.0 41.43 MB Collective variables module for molecular simulation and analysis programs Home Page: http://colvars.github.io/ License: GNU Lesser General Public License v3.0 Makefile 0.27% C++ 75.67% Tcl 9.73% Python 4.43% Shell 4.24% Awk 0.07% C 0.06% Perl 1.29% TeX 0.13% M4 0.05% Rich Text Format 2.80% CMake 1.06% Raku 0.15% Fortran 0.02% Introduction ยท People ยท Discuss
Implement user defined fitting/alignment for gspath and gzpath The current gspath and gzpath use the selected atoms as reference for both fitting and calculation. It is required that fitting and calculation should be splitted to allow a different set of atoms for fitting. Thanks to Mrinal!
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