Gromacs

tpbconv

    Table of contents
    1. 1. Reference

    The program tpbconv can perform four functions on run input (.tpr) files:

    1. Modify the number of steps to run in a simulation (for example, to extend a simulation)
    2. Create a new input file in the case of a crash (for GROMACS version 3.x, see Doing Restarts)
    3. Create a new run input (.tpr) file that contains only a subset of the original atoms (i.e., only Cα atoms for analysis)
    4. Set charges in a specific group to zero

     

    Reference

    Page last modified 02:08, 6 Feb 2010 by JLemkul?