Hi there,
Is it possible or is there any way in Gromacs to apply phi-value restraints to bias MD simulations using experimental phi-values got from mutagenesis, as done in this paper: https://pubmed.ncbi.nlm.nih.gov/12421565/?
Thanks a lot!!!
You can just put the restraint in the input file and let gmx read it when generating the .tpr file.
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