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@fgrunewald fgrunewald released this 16 Nov 15:29
· 622 commits to master since this release
v1.2.0
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This release implements a new distance restraint code, which allows to set distance restraints in the build file and generate simple cyclic molecule coordinates. In addition it allows to specify the persistence length and specifically generate coordinates with end-to-end distances, which match the worm-like-chain model. Furthermore it implements parmbsc1 DNA parameters. Finally it fixes a bug in the coordinate generator related to the phase of the dihedral. Now dihedral angles have the "correct" phase by GROMACS convention. Last but not least a number of bug related to itp-file manipulation have been solved and new warnings and error messages have been added.

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