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Make PSF terms other than BOND/ANG/DIHE optional

Open GregorySchwing opened this issue 3 years ago • 0 comments

Is your feature request related to a problem? Please describe. Some users may have psf's which are missing certain sections.

Describe the solution you'd like Relax the int ReadPSF(const char* psfFilename) method in MolSetup.cpp to detect whether or not this sections exist in the PSF. If they don't, just write them with 0 number in the PSF output instead of failing.

GregorySchwing avatar Jan 09 '22 16:01 GregorySchwing