[gmx-users] Farideh Khamseh shared "profileNH2.xlsx" with you
farideh.khamseh at gmail.com
Thu Jan 26 15:19:12 CET 2017
The file I shared is PMF profile that I have obtained performing US
simulations and I do not know why it goes down after 2 nm separation
distance between polymer and ligand.
On Thu, Jan 26, 2017 at 12:05 PM, faride badalkhani <
farideh.khamseh at gmail.com> wrote:
> The file I shared is not an ACF, It is a PMF profile that I have obtained
> performing US simulations and I do not know why it goes down after 2 nm
> separation distance between polymer and ligand.
> On Thu, Jan 26, 2017 at 11:55 AM, Erik Marklund <erik.marklund at kemi.uu.se>
>> That ACF looks very strange. How did you calculate it?
>> Kind regards,
>> Erik Marklund, PhD
>> Marie Skłodowska Curie INCA Fellow
>> Department of Chemistry – BMC
>> Uppsala Universtity
>> erik.marklund at kemi.uu.se
>> On 25 Jan 2017, at 19:51, Farideh Khamseh (via Dropbox) <
>> no-reply at dropbox.com> wrote:
>> Hi there,
>> Farideh Khamseh (farideh.khamseh at gmail.com) invited you to view the file
>> " profileNH2.xlsx " on Dropbox.
>> View file
>> The Dropbox team
>> : https://www.dropbox.com/l/scl/AADR0hVYXtrYU5y-yFnAEf-3KbNwewzJnMo
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