SECTION THREE: File redirection commands.

Input/output redirection information can be read as described here. The inclusion of these cards is optional. By default (if not redirected here), all input is taken from the standard input file. Redirection cards, if provided, must follow the end of the SECTION TWO input. Redirection card input is terminated by the first non-blank line which does not start with a recognized redirection TYPE (e.g. LISTIN, LISTOUT, etc.).

The format of the redirection cards is

Valid redirection keywords are:

LISTIN

An output listing of the restraints which have been read, and their deviations from the target distances before the simulation has been run. By default, this listing is not printed. If POUT is used for the filename, these deviations will be printed in the normal output file.

LISTOUT

An output listing of the restraints which have been read, and their deviations from the target distances _after the simulation has finished. By default, this listing is not printed. If POUT is used for the filename, these deviations will be printed in the normal output file.

DISANG

The file from which the distance and angle restraint information described below (Section 4) will be read.

NOESY

File from which NOESY volume information (Section 5), if any, will be read.

SHIFTS

File from which chemical shift information (Section 6), if any, will be read.

PCSHIFT

File from which paramagnetic shift information (Section 6), if any, will be read.

DIPOLE

File from which residual dipolar couplings (Section 7), if any, will be read.

DUMPAVE

File to which the time-averaged values of all restraints will be written, if DISAVI / ANGAVI / TORAVI has been used to set IDMPAV!=0. If either IDMPAV has not been set, or DUMPAVE is not specified, this file will not be written.

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