[gmx-users] top file question

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 10 11:11:55 CEST 2004


On Thu, 2004-06-10 at 08:15, コウ チ wrote:
> hi
>   I am trying to do a simulation of pyp(photoactive yellow protein).but i 
> can not generate a top file using pdb2gmx. the error message is : HC4 not 
> found in residure topology database. how can i deal with it?  
pdb2gmx -ignh

>                                                                             
>                         caoch 
>                                                                             
>                        tokyo institute  technology
> 
> _________________________________________________________________
> メッセンジャーで総額1億円プレゼント! http://im.msn.co.jp/home.htm
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++




More information about the gromacs.org_gmx-users mailing list