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Questions related from Manasa Surakala
Thanks in advance. In order to check the difference between the native structure and the structures obtained from simulations, I need to get the pdb files of the latter to superimpose with the...
01 January 1970 1,539 7 View
I am new to GROMACS, running protein-ligand simulation. The error is as follows: Fatal error:Atomtype SDMSO not found. after the command: gmx grompp -f em.mdp -c solv_13948302.gro -p topol.top...
01 January 1970 6,304 5 View
Thanks in advance for your help. ERROR: Water molecule starting at atom 14394 can not be settled. Check for bad contacts and/or reduce the timestep if appropriate. I tried changing mdp file and...
01 January 1970 5,095 7 View
Hi, Thanks in advance for your help. I tried using the command g_energy to get xvg files that can be in turn used for plotting graphs using xmgrace but I am getting the following error: Used...
01 January 1970 6,247 8 View