[gmx-users] residue index

tangxuan tangxuan82 at gmail.com
Fri Jan 11 14:11:29 CET 2008

hi all,
 I want to calculate the contact in a index group by g_mdmat. However, 
the residue index is not continuous in it because this index group is a 
combination of two subunits(subunit1: residue 1-470, subunit2: residue 
2000-2470). When I use g_mdmat, a very huge matrix is  produced and a 
lot memory is needed. It is very slow to do this calculation. Does 
anyone know how to solve this problem? Is there a way to make residue 
index continuous?


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