Thanks for the reply!
On Thu, Apr 26, 2012 at 3:28 AM, Teemu Murtola wrote:
> On Thu, Apr 26, 2012 at 04:19, mu xiaojia wrote:
> > e.g, I want to make an "HN" group of both H and N from my 2nd residue,
>
> There are multiple ways to achieve what you want with g_select.
> Probably the easiest is
On Thu, Apr 26, 2012 at 04:19, mu xiaojia wrote:
> e.g, I want to make an "HN" group of both H and N from my 2nd residue,
There are multiple ways to achieve what you want with g_select.
Probably the easiest is
"resnr 2 and name H N",
or if you need the atoms in a different order (changing the o
On 4/25/12 9:19 PM, mu xiaojia wrote:
Dear gmx users,
I may have a silly question, how to make a group of two atoms from the same
molecule?
e.g, I want to make an "HN" group of both H and N from my 2nd residue,
I know for single one, commands in *.dat file is like:
nameN = resnr 2 and name
Dear gmx users,
I may have a silly question, how to make a group of two atoms from the same
molecule?
e.g, I want to make an "HN" group of both H and N from my 2nd residue,
I know for single one, commands in *.dat file is like:
nameN = resnr 2 and name N;
nameH = resnr 2 and name H;
nameN;
nam
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