OS: Windows (V2.1.0)
Linux (PRinS3_V_2_1_0_Ubuntu_2020_64x)
App: X-ESS
Issue:
The ligand mol2 and itp files are uploaded to the ligand topology section in X-ESS and initiated the MD simulation. Upon submission, an error occurred indicating that ions.tpr was not generated.
The Ligand parameterization has done using Swissparam MMFF based approach and the force field used is CHARMM27.
OS: Windows (V2.1.0) Linux (PRinS3_V_2_1_0_Ubuntu_2020_64x) App: X-ESS
Issue: The ligand mol2 and itp files are uploaded to the ligand topology section in X-ESS and initiated the MD simulation. Upon submission, an error occurred indicating that ions.tpr was not generated.
The Ligand parameterization has done using Swissparam MMFF based approach and the force field used is CHARMM27.
MD_Files.zip