Nazanin Donyapour

icon company Axle Research and Technologies icon location 6116 Executive Blvd #400, Rockville, MD 20852 icon location Senior Computational Scientist

Results 2 comments of Nazanin Donyapour

pdb2pqr modifies the chain names

Hi, Thank you for your effort and response! I fixed the issue by removing the OXT atom from the residue 123 but it would be great to have the option...

Question about vector<Vec3> in swig interface file

I got `RMSDForce` working as plugin and codes can be found [here](https://github.com/ndonyapour/geometricCVs_OpenMM/tree/main/rmsd_plugin).