[gmx-users] Help with topology file

[Alexandre Suman de Araujo]

David van der Spoel wrote:

>On Fri, 2003-03-21 at 15:18, Alexandre Suman de Araujo wrote: David
>wrote:
>            
>Then I don't need to have [bonds] and [angles] session and I can erase
>them from the file??? Or the information from ffoplsaa.* files will
>overwrite the information in the topology file??? 
>The definition of the atomtypes that you are talking is what I showed in
>my first msg, didn't it???
>This possible dihedrals I think was specified automatically by PRODRG...
>but I'll check them again
>
>Yes you do need all that. You got that from prodrg didn't you?
>
>
>Thanks for your answer.
>
>
>
>  
>
Yes... I got from PRODRG and changed the atomtypes from ffgmx to 
ffoplsaa. I didn't understand if I can keep the [bonds] and [angles] 
sessions, created by PRODRG and with different values for oplsaa(they 
are correct to ffgmx, of course), in my topology file them gromacs 
overwrite their values for the correct ones or if I need to erase them 
and gromacs will get the values from ffoplsaa.* file???
Thankyou very much for the help.

-- 
Alexandre Suman de Araujo
asaraujo at if.sc.usp.br
UIN: 6194055
IFSC - USP - São Carlos - Brasil