doc/SmallTools/pdbNAMDRestraintCreate.html

   1 <HTML>
   2 <HEAD>
   3 <TITLE>pdbNAMDRestraintCreate</TITLE>
   4 </HEAD>
   5 <BODY>
   6 <H1>pdbNAMDRestraintCreate</H1>
   7 <H2>Usage</H2>
   8 <PRE>
   9 Usage: pdbNAMDRestraintCreate
  10 Options:
  11     [-i[nput]            In                  (NULL      ).as(inFile              ) ] :Essential :Input:PDB
  12     [-r[efrence]         Ref                 (NULL      ).as(inFile              ) ] :Essential :Input:PDB
  13     [-o[utput]           Out                 (stdout    ).as(outFile             ) ] :Optional  :Output: NAMD Restraint
  14     [-O[utput]           Out2                (stdout    ).as(outFile             ) ] :Optional  :Output: NAMD PDB Force
  15     [-kf                 Kf                  (1.0       ).as(Real                ) ] :Optional  :Input: Kf kcal/mol/A^2
  16     [-autokf             AutoKf              (1.0       ).as(Real                ) ] :Optional  :Input: Kf kcal/mol for averaged length
  17     [-seg[name]          SegName             (EXAMPLE   ).as(String              ) ] :Optional  :Input: segment name
  18     [-c[onfig]           configFile          (NULL      ).as(inFile              ) ] :Optional  :ConfigurationFile
  19     [-m[ode]             mode                (0         ).as(Integer             ) ] :Optional  :Mode
  20 ----- Additional Usage -----
  21 -autokf is prior to -kf.
  22 </PRE>
  23 </BODY>
  24 </HTML>