JOIN

NAME
JOIN - Provide the list of residues forming the current solute or solvent molecule(s).

SYNOPSIS

JOIN [SOLUTE | SOLVENT]
    ...
    ...
END

DESCRIPTION
The structured command JOIN reads the sequential list of labels corresponding to the residues forming the solute molecule(s). The list of residues begins at the line following JOIN. The end of this list is signaled by END on the line following the last residue label. Each residue labels must have been defined in the general formatted topology file read by READ_TPG_ASCII. See Sec. 10.3 for explanations.

EXAMPLES

JOIN SOLUTE
   lys-h val phe gly arg cys glu leu ala ala ala met lys
   arg hsd gly leu asp asn tyr arg gly tyr ser leu gly
   asn trp val cys ala ala lys phe glu ser asn phe asn
   thr gln ala thr asn arg asn thr asp gly ser thr asp
   tyr gly ile leu gln ile asn ser arg trp trp cys asn
   asp gly arg thr pro gly ser arg asn leu cys asn ile
   pro cys ser ala leu leu ser ser asp ile thr ala ser
   val asn cys ala lys lys ile val ser asp gly asn gly
   met asn ala trp val ala trp arg asn arg cys lys gly
   thr asp val gln ala trp ile arg gly cys arg leu-o
END

Sequence of residues for hen-egg lysozyme. All labels must have been defined in the general formatted topology file.

JOIN SOLVENT 
   hoh
END

Defines the topology of the solvent

WARNINGS
The command is inactive when used in conjunction with READ_TPGPRM. To have the desired effect, the JOIN environment must be used in conjunction with READ_TPG_ASCII, READ_PRM_ASCII and, optionally, the REPL_RESIDUE environment.