> On Tue, Jun 28, 2016, Martina Devi wrote:
>>
>> I gave the following command to convert mol2 file to prepin
>>
>> OAU=loadmol2 OAU.mol2
>> saveamberprep OAU OAU.prep
>>
>> then I got the following lines:
>>
>> OAU: connect0 not defined
>> OAU: connect1 not defined
>
> mol2 files in Amber are intended primarily for ligands that are complete
> molecules (and hence have no covalent connections to external atoms). The
> mol3 format should be used if you wish to use a "mol2-like" format but
> retain connection information that would be needed for things like modified
> residues.
>
> For more info:
>
> http://upjv.q4md-forcefieldtools.org/Tutorial/leap-mol3.php >
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
