[gmx-users] create topology other solvent

[Nur Syafiqah Abdul Ghani]

Dear all users,

I had this problem and i dont know how to solve it.I need to create
other co-solvent which does not have in pdb bank.
I to optimize it by using GAMESS software and do RESP for charge
calculation.When i do all this part there some error happened and
I manage to solve that part. Unfortunately there are no coordinate
that create. I have been told to do it by using amber for charge
calculation before can use it in gromacs.
Any suggestion to produce this cosolvent with pdb format?

Thanks.

-- 
Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
Selangor.
013-7188131
alternative email : syafiqahabdulghani at gmail.com