Hello, I want to do stimulation of my protein in solvent, ethanolamine (different percentage). I have made box of 1 nm and then using command "gmx solvate -cp 1AKI_newbox.gro -cs ethanolamine.gro -o 1AKI_solv.gro -p topol.top", As per my knowledge, i solvated my protein in ethanolamine. Now I want to know the number of ethanolamine molecule present in box. Then I looked in to *.top* file but no information is availble in the file (SOL). (As per intruction, program is only hard-coded to update the topology in the case of water). I found increase in number of molecules from 7200 to 128004 in /home/lab1/Desktop/md2/1AKI_processed.gro.gro and 1AKI_solv.gro, respectively. It means something is inserted in box (must be ethanolamine!!!!!-my guess) How can i know number of ethanolamine molecules?
for reference please find attched files. Thanking you in advance. -- Regards, Chintan Bhagat Research scholar, Veer Narmad South Gujarat University, India
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