Hi Gromacs-Users,
Is it possible to use more than one pair potential on one atom type in
gromacs? If it possible please let me know the process and corresponding
information.
Thanks,
Sudip Das
PhD Student
C/o. Prof. S. Balasubramanian
Molecular Simulations Lab
Chemistry and Physics of Materials
Thank you Mark and David for your kind responses.
> Den 2018-04-24 kl. 15:49, skrev Mark Abraham:
>> Hi,
>>
>> There is no physical meaning to this decomposition. There is nothing to
>> justify.
>>
>> The total energies are different for each system, too. How would you
>> justify that? They're ju
Dear all,
The rmsd obtained after equilibration of protein-protein complex at 1atm
pressure is quite high(5times) but the rmsd obtained for only 100ps
simulatrion of equilibration is quite stable. Which rmsd should be
considered?
--
Best regards,
*Shyantani Maiti*
--
Gromacs Users mailing list