[gmx-users] Charmm gui error when making topology

Nikhil Maroli scinikhil at gmail.com
Wed Dec 30 15:21:41 CET 2015

Dear all,
im trying to make topology for few ligands,(CHARMM ff)when  i try to run it
end with error

i made unique name for all atoms using VMD-molfacature tool

and used Discovery studio,open babel to convert to mol2 file for uploading
to charmm-gui
im getting following error

awk: cmd. line:1: fatal: cannot open file `LIG.mol2' for reading (No
such file or directory)
Cannot open file LIG.mol2 to read in rmol2(), exit


readmol2 warning: skipped empty mol2 file

i hope someone can help me out here

Nikhil Maroli

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