[gmx-users] calculate *all* carbon atom distances over time?
enxam16 at nottingham.ac.uk
Mon Feb 15 18:58:13 CET 2016
Thank you for the clarification, Justin.
Does gmx distance also work in the same way? In its reference manual I see that it supports an -oall option ("-oall writes all the individual distances"), so could it be that it can print the distances between all atoms without the need of the extra processing (script and index file) that g_dist needs?
This message and any attachment are intended solely for the addressee
and may contain confidential information. If you have received this
message in error, please send it back to me, and immediately delete it.
Please do not use, copy or disclose the information contained in this
message or in any attachment. Any views or opinions expressed by the
author of this email do not necessarily reflect the views of the
University of Nottingham.
This message has been checked for viruses but the contents of an
attachment may still contain software viruses which could damage your
computer system, you are advised to perform your own checks. Email
communications with the University of Nottingham may be monitored as
permitted by UK legislation.
More information about the gromacs.org_gmx-users