On 4/29/13 8:34 PM, Mark Abraham wrote:
I do not see that the caption to figure 4.8 implies a "reference" atom. It
Sorry, loose terminology after a long day. "Reference atom" is a poor choice.
What I meant was with respect to the way pdb2gmx constructs impropers - the
central atom (i.e. th
I do not see that the caption to figure 4.8 implies a "reference" atom. It
talks merely about the angle between planes i-j-k and j-k-l. That angle is
signed and the sign is significant for equation 4.60. Does the sign of the
angle differ from that between l-k-j and k-j-i? I think not, but it's way
On 4/29/13 8:00 PM, Mark Abraham wrote:
On Mon, Apr 29, 2013 at 11:34 PM, Justin Lemkul wrote:
Please start a new thread if you're going to introduce a new topic. I
have changed the subject to something more relevant.
On 4/29/13 4:23 PM, lloyd riggs wrote:
*Dear All,*
*Doing a water/tem
On Mon, Apr 29, 2013 at 11:34 PM, Justin Lemkul wrote:
>
> Please start a new thread if you're going to introduce a new topic. I
> have changed the subject to something more relevant.
>
> On 4/29/13 4:23 PM, lloyd riggs wrote:
>
>> *Dear All,*
>> *Doing a water/temp energy minimization just for
Please start a new thread if you're going to introduce a new topic. I have
changed the subject to something more relevant.
On 4/29/13 4:23 PM, lloyd riggs wrote:
*Dear All,*
*Doing a water/temp energy minimization just for a figure with a large molecule
that has several connected parts, I ra
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