[gmx-users] atoms over 100,000
Albert
mailmd2011 at gmail.com
Thu Oct 9 16:40:04 CEST 2014
Hello:
I've got a very huge system with atoms over 100,000. Here is what I
found in my .gro file:
12704SOL HW199997 5.692 0.632 15.656 -0.8133 -2.1763 1.0219
12704SOL HW299998 5.581 0.622 15.553 0.9523 0.7090 -1.3100
12705SOL OW99999 1.756 7.289 4.193 0.1369 0.3054 -0.7657
12705SOL HW1 0 1.764 7.316 4.285 -0.4818 -0.1074 -0.5876
12705SOL HW2 1 1.821 7.343 4.147 0.0391 0.9420 -0.1781
12706SOL OW 2 6.348 1.949 3.067 -0.0236 -0.0126 -0.9009
12706SOL HW1 3 6.368 1.856 3.071 -0.6923 -0.1107 0.3545
I am going to define several atoms which are after index 100,000. I am
just wondering how can we define those atoms correctly?
thank you very much.
Albert
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