[gmx-users] InflateGRO script

Odame Agyapong oagyapomg at gmail.com
Thu Aug 17 10:44:33 CEST 2017


Hello I am trying to run simulations of membrane protein in POPC, TFE, DPPC
lipids. How do I start. Any tutorial?

On Thursday, August 17, 2017, "가디 장데부 고라크스나트" <f07338 at kist.re.kr> wrote:
> Hello there,
>
> This is Changdev and I am facing problem in InflateGRO script.
>
> I am working on membrane protein and would like to embed the protein into
512 DPPC lipids.
>
> I used the command from Dr. Justin's tutorial.
>
> perl inflategro.pl system.gro 4 DPPC 14 sys_infl.gro 5 area.dat
>
> after running this command it shows following error.
>
>
>
> However, it did generate the sys_infl.gro but when I checked using VMD,
there is nothing visible in this file.
>
> So, please help me in this regard to solve this problem.
>
>
>
>
> Regards,
>
>
>
>
>
>
>
>
>
> Dr. Changdev G. Gadhe
>
> Post-Doc Researcher,
>
> Convergence Research Center for Diagnosis, Treatment and Care System of
Dementia,
>
> Korea Institute of Science and Technology,
>
> Hwarangno 14-gil 5, Seongbuk-gu, Seoul 136-791, Korea
>
> Ph.: +82-10-2779-1546 , Lab: +82-02-958-6850
>
> Email: F07338 at kist.re.kr
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