CYANA Command: read rho

From CYANA Wiki
Revision as of 14:19, 17 January 2019 by Dean (talk | contribs)
Jump to navigation Jump to search

Parameters

file=filename.rho (required)

Description

Reads a file containing atom specific lists of auto relaxation values and I(0) values.

The format of the list uses the flag -1.0000 for keeping the fitted value. I.e. to specify the auto-relaxation value only but not the I(0) value:

15 SER HA 3.7067 -1.0000

To use generic limits for normalization the I(0) value as:

15 SER HA -1.0000 752840293.0085