[gmx-users] Response required

Dallas Warren dallas.warren at monash.edu
Wed Jan 2 00:25:55 CET 2019


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.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Sat, 29 Dec 2018 at 01:50, <molashahimaryam at aut.ac.ir> wrote:

>
> 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 you are not able to
> find the error, we suggests to use the SMILE code.
>  * How should I do?
>  *
> Regards
>
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