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rmcgibbo / openmm-webbuilder

JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
http://builder.openmm.org
GNU General Public License v3.0
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Gromacs input option? #12

Closed sryckbos closed 11 years ago

sryckbos commented 11 years ago

I don't see a way to use a .gro and .top file as input coordinate and topologies through this. Presumably it's a trivial addition (as prmtop and inpcrd files are supported too), but an important one, I think.

rmcgibbo commented 11 years ago

Good idea.

rmcgibbo commented 11 years ago

Okay. I think I added this sucessfully. Let me know if you have any issues.