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Questions related from David Kastner
Does anyone know how to freeze or fix a specific dihedral in MOPAC? In Gaussian09, you can use the specific command "D 1 2 3 4 F" to fix a specific dihedral. I cannot find an analogous command for...
07 April 2018 2,963 3 View
I want to simulate a small peptide that is a mixture of non-standard and standard amino acids. How can I run a trajectory in Gaussian where the standard amino acids use the Amber force field and...
09 August 2017 4,237 0 View
Is there a way to calculate the backbone RMSD for two different peptides that have the same number of residues but one of the side chains is different? It should be possible because the two...
06 August 2017 1,307 3 View
