[gmx-users] Regarding POPE lipid parameters

[Oliver Mirus]

Hi,

> I downloaded POPE.itp and lipid.itp file from 
> Dr Tieleman website http://moose.bio.ucalgary.ca/index.php? 
> page=Structures_and_Topologies. I am trying to convert C6/C12 parameters 
> to sigma/epsilon as suggestions given by Dr.Chris neale in mailing list 
> http://www.gromacs.org/pipermail/gmx-users/2006-May/021416.html.
>  
> In this mailing list, in atomtypes section given as " added atomtypes H 
> from olsa_369  to match H expected by pope.itp"
>  
> My question,
>                      In which file "olsa_369 " parameters available.
> Any suggestion is appreciated.
>                                                Thank you in advance.


in "ffoplsaanb.itp" - one of the files you have to modify anyway. ;)

Just search for "opls_369".

regards

Oliver