diff --git a/vermouth/data/mappings/his.charmm.mapping b/vermouth/data/mappings/his.charmm.mapping new file mode 100644 index 000000000..3cfe5816e --- /dev/null +++ b/vermouth/data/mappings/his.charmm.mapping @@ -0,0 +1,30 @@ +[ block ] +[ from ] +charmm +[ to ] +martini22 + +[ from blocks ] +HIS + +[ to blocks ] +HSE + +[ mapping ] + N BB + HN BB + CA BB + HA BB + CB SC1 +HB1 SC1 +HB2 SC1 +CD2 SC2 +HD2 SC2 + CG SC1 +NE2 SC2 +HE2 SC2 +ND1 SC3 +CE1 SC3 +HE1 SC3 + C BB + O BB \ No newline at end of file diff --git a/vermouth/data/mappings/his.gromos.mapping b/vermouth/data/mappings/his.gromos.mapping new file mode 100644 index 000000000..78425909c --- /dev/null +++ b/vermouth/data/mappings/his.gromos.mapping @@ -0,0 +1,27 @@ +[ block ] +[ from ] +gromos +[ to ] +martini22 + +[ from blocks ] +HIS + +[ to blocks ] +HSE + +[ mapping ] + N BB + H BB + CA BB + CB SC1 + CG SC1 +ND1 SC3 +HD1 SC3 +CD2 SC2 +HD2 SC2 +CE1 SC3 +HE1 SC3 +NE2 SC2 + C BB + O BB