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Feature request: GROMACS force field parsing #6
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Ok, sounds good. I'm just adding Smirnoff - and that is leading me to generalize some of the force field code that will make it easier to handle other force field files. |
To be specific for GROMACS what force field files are you looking for? |
I guess itp and top would be required. You can use the martini force field as a test case: http://cgmartini.nl/index.php/force-field-parameters/particle-definitions |
The martini force field is a course-grained model - is that what you are using? |
I am interested in martini right now, but the parsing should work irrespective of being GROMOS or martini, right? |
As discussed in FL:
Being able to parse force field files from GROMACS (and from CHARMM too for that matter), that include atom names with 4 letter codes and LJ cross-terms, and write topologies in AMBER format. The latter should be achievable similarly as with LJEDIT format from David Cerutti.
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