[gmx-users] Re: NVT and NPT for small peptide

shika pqah123 at gmail.com
Thu May 23 05:39:10 CEST 2013

Hi Maggin,

It depend on your protein stability..It can be short or long..Check
the .edr file by using g_energy

On Thu, May 23, 2013 at 9:44 AM, maggin [via GROMACS]
<ml-node+s5086n5008461h75 at n6.nabble.com> wrote:
> Hi, when simulation small peptideS, 6 or 10 amino acid, how long it is need
> for NVT and NPT?
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Best Regards,

Nur Syafiqah Abdul Ghani,
Theoretical and Computational Chemistry Laboratory,
Department of Chemistry,
Faculty of Science,
Universiti Putra Malaysia,
43400 Serdang,
alternative email : syafiqahabdulghani at gmail.com @ GS33669 at mutiara.upm.edu.my

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