TABLE OF CONTENTS
::pwtk::pwi::fixAtomsRange
SYNOPSIS
proc ::pwtk::pwi::fixAtomsRange {firstAtom lastAtom {fixString "0 0 0"}} {
PURPOSE
Fix range of atoms by setting if_pos(:) flags to $fixString
ARGUMENTS
- firstAtom,lastAtom -- range of atoms (from,to) to be immobilized, lastAtom can be also "end"
- fixString -- list of if_pos(:) values (optional, default = {0 0 0})
SOURCE
# replace "end" with number-of-atoms set nat [::pwtk::pwi::getNAtoms] set firstAtom [::pwtk::parseIndex1 $firstAtom $nat] set lastAtom [::pwtk::parseIndex1 $lastAtom $nat] fixAtoms $firstAtom-$lastAtom $fixString }