[gmx-users] Help with gmx make_ndx
Quyen V. Vu
vuqv.phys at gmail.com
Wed Aug 24 06:28:40 CEST 2016
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I'm very sorry for my stupid ( I am new to mailing list so not familiar
>> I think if I type 8|9 then my index.ndx should not appear [systems] group
>> it too large for my system)
>Yes, it should, because you asked it to make a subset of a file that had
>the full system...
So, could you tell me how to get only index of LA and CL group when
make_ndx prompt like this?
Select group for output
Group 0 ( System) has 943920 elements
Group 1 ( DNA) has 3198 elements
Group 2 ( LA) has 76 elements
Group 3 ( CL) has 130 elements
Group 4 ( Water) has 940516 elements
Group 5 ( SOL) has 940516 elements
Group 6 ( non-Water) has 3404 elements
Group 7 ( Ion) has 206 elements
Group 8 ( LA) has 76 elements
Group 9 ( CL) has 130 elements
Group 10 ( Water_and_ions) has 940722 elements
what should I type ?
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