[gmx-users] MD simulation of Glycoproteion

Yun Shi yunshi09 at gmail.com
Thu Dec 15 03:48:03 CET 2011


2011/12/14 陈应广 <525342307 at qq.com>

>
> **
>
>
>  Dear gromacs users
>
>      I used Gromacs in order to get a MD simulation of Glycoproteion.now I
> have got the Glycoproteion's PDB file,When I want to MD by GMX,it gave a
> Warnning:Fatal error: Residue "...."not found in residue topology database.
> And I know it was because of the force field,I want to know which force
> field should be choose in GMX,And where I can get the force field?? *Any
> suggestions?
> *
>

I guess you have to check the residue names, especially those glyco parts,
which are probably not in the force field you chose.


> ** That's all.
>
>
>     Thank  you
> **
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111214/18bbaa67/attachment.html>


More information about the gromacs.org_gmx-users mailing list