vmd教程 forces-tutorial

CONTENTS3Introduction

ThistutorialisdesignedtoguideusersofVMDandNAMDintheuseoftclForcesandtclBC.Itisassumedthatyoualreadyhaveaworkingknowl-edgeofVMDandNAMD,aswellastheTcllanguage.FortheaccompanyingVMDandNAMDtutorialsgoto:

http://www.ks.uiuc.edu/Training/Tutorials/

Thistutorialhasbeendesignedspeci callyforVMD1.8.5,andshouldtakeabout5hourstocompleteinitsentirety.

Thetutorialissubdividedintotwoseparateunits,onefortclForcesandonefortclBC.Thesescript-basedfacilitiesmakepossiblevirtuallyanyperturbationofyoursystem,andaftercompletingthistutorialyouwillhavethebasicskillstousethem.

Throughoutthetext,somematerialwillbepresentedinseparate“boxes”.Theseboxesincludecomplementaryinformationtothetutorialandtipsortechnicaldetailsthatcanbefurtherexploredbytheadvanceduser.

Tclcodeiswritteninthisfont.Whenalineendswithabackslash(\)thismeansthatthereshouldbenolinebreak...don’tpressenter,justkeeptyping!Ifyouhaveanyquestionsorcommentsonthistutorial,pleaseemailtheTCBTutorialmailinglistattutorial-l@ks.uiuc.edu.Themailinglistisarchivedathttp://www.ks.uiuc.edu/Training/Tutorials/mailing