#55 Biskit.AmberEntropist test fails

closed-fixed
5
2012-02-24
2012-02-21
No

Biskit.AmberEntropist.Test.test_amberEntropist fails with problem related to AmberParmBuilder.

Discussion

  • Raik Gruenberg

    Raik Gruenberg - 2012-02-24

    This bug was actually a problem in AmberParmBuilder.parmMirror -- some DNA / RNA atom names have changed in the new amber parm10 forcefield definition.
    Fixed by adapting xplor2amber in PDBModel

    fixed in revision 1084

     
  • Raik Gruenberg

    Raik Gruenberg - 2012-02-24
    • status: open --> closed-fixed
     

Log in to post a comment.

Get latest updates about Open Source Projects, Conferences and News.

Sign up for the SourceForge newsletter:





No, thanks