mrcImageToNAMDConstantForces
Usage
Usage: mrcImageToNAMDConstantForces
Options:
[-i[nput] In (NULL ).as(inFile ) ] :Essential :Input:MRC
[-ip[db] InPDB (NULL ).as(inFile ) ] :Essential :Input:PDB
[-o[utput] Out (stdout ).as(outFile ) ] :Optional :Output: PDB with Constant Force
[-w[eight] Weight (1.0 ).as(Real ) ] :Optional :Input: Weight for Constant Force
[-s[calingFactor] ScalingFactor (1.0 ).as(Real ) ] :Optional :Input: Scaling Factor for Constant Force
[-C[ontour] Contour (0.0 ).as(Real ) ] :Optional :Input: Contour[if density>Contour, force=0]
[-R[otatemode] Rotate (0 ).as(Integer ) ] :Optional :Input: RotateMode
[-RW[eight] RWeight (0.1 ).as(Real ) ] :Optional :Input: RotateWeight
[-S[eed] Seed (0.0 ).as(Real ) ] :Optional :Input: Seed
[-nowat[er] ] :Optional :No force for WAT (water residue)
[-c[onfig] configFile (NULL ).as(inFile ) ] :Optional :ConfigurationFile
[-m[ode] mode (0 ).as(Integer ) ] :Optional :Mode
----- Additional Usage -----
More Density is lower potential.