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Questions related from Sainitin Donakonda
Hello, I used gromacs 2020 and performed the 100ns simulation protein drug complex. I generated .tpr file for 100ns simulation using gromacs version 5 as g_mmpbsa works with gromacs 5x version...
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Hello, I want to consider ionization potential for drug molecule before docking using Autodock Vina can any body tell me which tool (free) can be used to do that? Thank you, Sainitin
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Hello, I performed 100ns protein - ligand MD simulation using gromacs. When I calculate the RMSD I see weird jump at 60ns. I used no jump and center to create nopbc.xtc file also used fit + rot...
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Hello, I performed 20ns simulation of a protein using Gromacs 5.1. I want to plot DSSP plot of simulated protein for specific residues. I created index file using following command. gmx make_ndx...
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Hello, I computed semantic similarity score between gene ontology terms, which ranges from 0 to 1. I want to choose cut-off in these 0 to 1 value. By which I can choose similar and dissimilar GO...
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