[gmx-users] Charmm gui error when making topology

Justin Lemkul jalemkul at vt.edu
Wed Dec 30 15:35:40 CET 2015

On 12/30/15 9:21 AM, Nikhil Maroli wrote:
> 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
> or
> readmol2 warning: skipped empty mol2 file
> i hope someone can help me out here

Contact the CHARMM-GUI team; this is not a GROMACS problem.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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