[gmx-users] trajectory info

[Omer Markovitch]

See for example eq. 19 & 20 at JCP 129, 84505 (
http://dx.doi.org/10.1063/1.2968608). Is this what you meant?
Omer.

On Mon, Dec 14, 2009 at 06:56, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

> I think that the problem comes from pbc handling for molecules splited
>> across boundaries - I expect : do something before calc_xcm.
>> I could run trjconv before run tool, but I 'd like to use the original
>> trajectories and handle them correctly.
>> Any suggestion is appreciable.
>>
>
>
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