VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Mon Jan 29 2018 - 19:44:42 CST

Hi Steve,

I don't think so. Here is a little test I ran:

for { set i 0 } { $i < 10000 } { incr i } {
mol new
}

This creates 10000 (empty) molecules. You could just as easily do this with one specific pdb, and I think you'll find that there is nothing stopping you from simultaneously loading an egregious number of files at once. There is instead probably something fishy about 1 out of your 2000 pdbs, and VMD's tcl interpreter catches the error returned and halts execution of the rest of the script, which is why VMD works fine for the loaded files rather than segfaulting like it would if you ran it out of memory. What is the error message, if any?

-Josh

On 01/29/2018 06:31 PM, Windle,Stephen wrote:

Hey all,

I have a script that loads all the molecules into VMD. I have two folders, one with close to 2,000 pdb files and another with over 6,000. In each case, I get an error on a pdb file after it's successfully loaded 1,011 files into VMD. The loaded files work fine. Is this the max number of allowable molecules for VMD? Thank you!

-Steve