VMD-L Mailing List

From: puroorava annapaneni (chakri_rgv_at_yahoo.com)
Date: Sun Sep 18 2011 - 12:22:58 CDT

Hello   In my simulation some of the atoms are flying away and that results in a change in total number of atoms. So I used topotools 'readvarxyz <filename>' command to get all the frames. But unable to do so, and I get the following vmd > topo readvarxyz dump.xyz Info) readvarxyz: read in 401 frames requiring 1174 atoms storage. Type map: 2 1 4 3 5 Max type counts: 32 944 16 32 150 can't read "a": no such variable I use VMD 1.9 and topotools 1.2 Regards Chakri