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CG forcefield API

some kind of wrapper to a text file, to enable simple python and/or sim access

SCOUT Helper Scripts/Tools

Compiling List of all the things we have been using, add as you find things:
(1) TrajMap w/ MDTraj
(2) S(q)
(3) SrelThermo
(4) KBI (from PCF's and particle # fluctuations)
(5) Free Energy Scripts
(6) Osmotic Pressure Example
(7) Custom Persistence Length
(8) Fitting routines for extracting chi-parameters from RPA, one-loop, etc.

S(q) script

  • Will be helpful for comparisons with CL/FTS, extracting chi-parameters, etc.
  • Upload S(q) script that is currently in use
  • Speedup with multiprocessing (Nick currently working on that)

AA --> MD mapper

Preliminarily:

  • Center of Mass
  • Angstroms (default), can also use nm

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