parazue

sir , i tried but it return error i am sending the error ***@***.***:~$ plumed help Usage: plumed [options] [command] [command options] plumed [command] -h|--help: to print help for a...

***@***.***:~$ whereis gromacs gromacs: /usr/local/gromacs ***@***.***:~$ cd /usr/local/gromacs ***@***.***:/usr/local/gromacs$ ls bin include lib share ***@***.***:/usr/local/gromacs$ plumed patch -p PLUMED patching tool 1) amber18 4) gromacs-2020.4 7) namd-2.13 2) gromacs-2018.8 5)...

ram@ram:~/Documents/Debanjan-PV-work/NP-AtDB-Vs-4jsv$ autodock_gpu --filelist lig_list.txt AutoDock-GPU version: v1.4-release Running 20248 docking calculations Cuda device: NVIDIA GeForce GTX 1050 Ti Available memory on device: 3631 MB (total: 4038 MB) CUDA Setup time...

@atillack I have rectified the issues and started to carry out VS. Thanks for the support. Running Job #4463: Fields from: ./3IKA_PP.maps.fld Ligands from: lig15625.pdbqt RNG seed is 1623449180 Local-search...