Dear All,
I was trying to simulate membrane in AMBER. I am able to load dry membrane in xleap without any errors. I solvate it as follows
solvatebox memb TIP3PBOX {0 0 15}
As desired and expected this gives me water up and lower part of membrane. But I provided 0 0 for the other directions few molecules of water are coming on sides (left and right side of membrane). Anyone please chime if he/she has any idea how I can remove such waters selectively or truncate side waters (few numbers though cant be removed manually in xleap)
Please some one reply for my earlier mail also
thanks and regards..
jiomm
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Received on Tue Dec 13 2011 - 04:00:02 PST
