noprogress
noprogress Do not display read progress during trajectory processing.
Tools and information for AMBER and CPPTRAJ examples
Updated: April 5, 2022
noprogress Do not display read progress during trajectory processing.
Updated: March 27, 2019
Change the output precision of data sets precision {<filename> | <dataset arg>} [<width>] [<precision>] Set the precision for all data sets in data file <filename> or data set(s) specified by <dataset arg> to width.precision, where width is the… Read More
Updated: March 27, 2019
Read CPPTRAJ input from a file readinput <filename> Read CPPTRAJ commands from file <filename>.
Updated: March 27, 2019
Remove specified data set(s) removedata <arg> Remove data set corresponding to <arg>.
Updated: February 12, 2020
Generate Amber-style distance/angle/torsion restraints rst <mask1> <mask2> [<mask3>] [<mask4>] r1 <r1> r2 <r2> r3 <r3> r4 <r4> rk2 <rk2> rk3 <rk3> {[parm <parmfile / tag> | parmindex <#>]}[{ref <refname> | refindex <#> | reference} [offset <off>] [width <width>]]… Read More
Updated: March 27, 2019
Print the results of an atom mask expression select <mask> Prints the number of selected atoms corresponding to the given mask, as well as the atom numbers with format: Selected = <#atom1> <#atom2> … This does not affect… Read More
Updated: March 27, 2019
Print the results of a data set selection expression selectds <dataset arg> Show the results of a data set selection. Data set selection has the format: <name>[<aspect>]:<index> Either the [<aspect>] or the <index> arguments may be omitted. A… Read More
Updated: April 11, 2023
Immediately write data to a file or write to all current data files write [<filename> <datasetname0> [<datasetname1> …]] [<DataFile Options>] With no arguments, write all files currently in the data file list. Otherwise, write specified… Read More
Updated: March 27, 2019
Change which molecules are considered solvent solvent [parm <name> | parmindex <#> | <#>] { <mask> | none } Set solvent for selected topology (first loaded topology by default) based on <mask>, or set nothing as solvent if… Read More
Updated: March 27, 2019
Scale selected dihedral force constants. scaledihedralk [parm <name> | parmindex <#>] <scale factor> [<mask> [useall]] Scale dihedral force constants for dihderals selected by <mask> for specified topology. If useall is specified all atoms in <mask> must be present… Read More
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