to whom it may concern,
i have mapped out a mol2file onto a structure found in a .mrc file. and then i ran this command to multiply the mol2 structure:
sym #2 h,0.357979,132.83196,72,-40 coord #1 center 119.04,119.04,119.04
it multiplied it as intended which is good but now i want to save those multiplied mol2 files into a sperate mol2 files.
i tried this command:
save multiplied_structures.mol2 format mol2 models #2
but this only saves a single mol2 structure into the new mol2 file. i want all 72 molecules in one mol2 file.
can you give me some advice as to how i may be able to do this?
my ultimate goal is to take that mol2 file and do an md simulation.
Best,
Joel Gallardo (Graduate student in chemistry)
