Dear all. I've tried to calculate solvatin free energy using amber force field and gromacs but unfourtunately I can't include the parameters for B type. Can somebody help me with that, I send you a top file.
Best regards, Jorge R. Quintero Grupo de Investigación en Fisicoquímica Teórica y Experimental (GIFTEX) Universidad Industrial de Santander Escuela de Química Bucaramanga, Santander - Colombia
toluene.top
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