Hi
I am using this tool for the first time. I am not able to figure out the number that I should put in for mol? Like in lmpbondsfromdata [molinfo top] data.micelle, is it the molecular id that appears first? I put 1 and it seemed to work, but then I restarted it and it’s not working it seems, then I put 0, and it calculated all bonds exactly as 3035, but the picture generated is not correct it seems. I have 15 polymer chains and 850 solvent molecules of water and methanol in my system.
Any comment will be appreciated.
Thanks
Chetan
bondvmd.bmp (706 KB)
