On 8/06/2012 11:49 PM, Catarina Santos wrote:
Hi everybody,
I am trying to find an easy way to calculate the furthest distance
between the atoms of two groups in a system. I know that g_dist can
give me all the distances I want, but I would have to run g_dist for
each possible atom pair (which is not a fast or a straightforward
process).
I have already checked the manual and tried some tools, I did not
find anything that returns all the distances between all the possible
pairs of atoms though. Am I missing something?
g_mindist -max with both groups the same?
Mark
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists