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- Mon Dec 17, 2018 6:30 pm
- Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
- Topic: Gromacs complaining about .gro format
- Replies: 1
- Views: 503
Gromacs complaining about .gro format
Dear Prof. Wang, Hope all is well with you at your new position at UC-Davis, and hope you are well in general! I and some other people at ORNL would like to optimize force fields for intrinsically disordered proteins using small-angle neutron/X-ray scattering intensities as target data. I have imple...