What force field(s) were used?
Did you create any new residue types yourself? If yes, do you know what
improper dihedral terms do?
Bill
On 9/23/19 2:41 AM, MYRIAN TORRES RICO wrote:
> Dear all,
>
> I have a problem with my MD. I launched MD corresponding to
> carbohydrates-protein, these ligands (saccharides) have differents
> residues like substituents.
> When my MD finished, in some cases, the structure of my ligands is
> distorted and I can't measures distances and angles over them.
>
> When I worked with only ligands, and my MD turned out distorted I
> launched a second MD called TAR, which it was a MD shorter with
> restriction.
>
> In this case, have someone any idea?
>
> Thanks in advance,
>
> Myriam
>
>
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Received on Mon Sep 23 2019 - 03:00:03 PDT
