Respected Sir many many thanks for your reply to my last mail. I was able able to debug the error
Here I have new set of queries.. How much COM spacing should i consider for my protein-ligand interactiom How much total distance I should move along z-axis/... and which all conf file should i take into consideration for npt_umbrella.mdp... I have my summary_distance.dat as an attachment Here in your example I could not understand as to why have you taken conf0 extending to con450 for ur npt_umbrella.mdp.. I request you to kindly guide me to the next step... -- Thanking You with Regards. Arunima Shilpi Ph. D Research Scholar(Cancer & Epigenetics) Department of Life Science National Institute of Technology Rourkela Odisha
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