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Questions related from Maria Solis
I am working on an protein-ligand system. I made a psf file and pdb with topology and parameters files of this only directory toppar_c36_jul20, but when I ran min.conf file in Namd , it...
22 May 2021 2,174 3 View
I was looking at using the vmd ff-toolkit to optimize that topology of a drug, but I see that it needs the psf of the ligand without hydrogens because the ff-toolkit program puts water on it. In...
18 May 2021 8,017 0 View
I am using a script to create a psf file in VMD, then I hope use this psf file in namd. But the program generates a fault (photography). My system is a protein dimer: chain A (15-501), chain B...
15 April 2021 2,007 4 View
Hello guys! I have installed Assemble2 on "Windows", but when I opened the PDB file in Assemble2 to view the 3D structure, the software said that: "RNAVIEW is not able to annotate your 3D"....
01 January 1970 6,070 1 View
Hello! I want to restraint my ligand with a protein in Gromacs. According the reference, specific atoms of the ligand are joined with the protein: R1 interacts with 459-462 amino acid...
01 January 1970 9,510 1 View
I generated files for minimization in Gromacs through Charmm-gui. But, when I was searching the bonds between Mg and amino acid in the section [bond], there were not. On the other hand, I could...
01 January 1970 5,172 5 View