Hi,
I suggest you explore the LigParGen software for its documentation and help
fora. This one is particular to GROMACS.
Mark
On Fri, Dec 28, 2018 at 3:50 PM wrote:
>
> Hi everyone
>
> When I submit a PEO chain consists of 23 monomers to LigParGen
> web-based service to make a topology file,
Contact those that provided the server
http://zarbi.chem.yale.edu/ligpargen/contact.html
This is not to do with GROMACS.
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.
: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of
molashahimar...@aut.ac.ir
Sent: Friday, December 28, 2018 9:50:05 AM
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] Response required
Hi everyone
When I submit a PEO chain consists of 23 monomers to LigParGen
web-based
Hi everyone
When I submit a PEO chain consists of 23 monomers to LigParGen
web-based service to make a topology file, there is no problem. But when I
submit a PEO chain consists of 100 monomers I give an error:
* Found residue ligand OXY
* Unknown error. Please, check the input file. If yo
