Boric acid, borate esters, and hydroxy derivatives are biologically active molecules. Thus, performing molecular dynamics simulations of these molecules is vital in terms of drug design, but it is ...
* Processes all command line options. * Possible options combinations are: * paramfit -i [Job control file] -p [prmtop] -c [mdcrd] -q [quantum data] -d [ON/OFF/DEBUG ...
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