Maybe you think it is a simple scrips, but for those fresh GROMACS user such as me, it would be a very difficult task. <br><br>Anyway, thanks a lot for the messages.<br><div></div><br><pre><br>At 2011-06-01£¬"Thomas Piggot" <t.piggot@soton.ac.uk> wrote:
>In addition to all the other responses, I just wanted to clear up why
>there is this difference in names. The POPC structure from the link
>below still has the atom names of the old CHARMM27 lipids (DPPC is
>fine). As suggested, a simple script can do the conversion for you.
>
>Cheers
>
>Tom
>
>albert wrote:
>> I know this, but this file cannot be used because the atom name is quite
>> different from gromacs CHARMM36 topol library.
>>
>>
>> At 2011-05-30£¬"Rausch, Felix" <frausch@ipb-halle.de> wrote:
>>
>> Check this link given by another (unknown) mailing list user
>> yesterday (Topic name: *about POPC in Gromacs* )!
>>
>> http://terpconnect.umd.edu/~jbklauda/research/download.html
>> <http://terpconnect.umd.edu/%7Ejbklauda/research/download.html>
>>
>> ------------------------------------------------------------------------
>> *Von:* gmx-users-bounces@gromacs.org
>> <mailto:gmx-users-bounces@gromacs.org> im Auftrag von albert
>> *Gesendet:* So 29.05.2011 21:23
>> *An:* Discussion list for GROMACS users
>> *Betreff:* Re:Re: [gmx-users] where can I download POPC membrane file?
>>
>> But I don't think it is pre-equilibrium POPC membrane...... and more
>> over, the position from VMD is not pre-aligned with OPM database. It
>> would be a great problem for putting our protein in the membrane......
>>
>>
>>
>>
>> At 2011-05-30£¬"Sergio Manzetti" <sergio.manzetti@vestforsk.no
>> <mailto:sergio.manzetti@vestforsk.no>> wrote:
>>
>> You can build it using VMD (VIsual Molecular Dynamics)
>>
>>
>>
>> 2011/5/30 albert <leuven@yeah.net <mailto:leuven@yeah.net>>
>>
>> Dear all:
>>
>> I would like to use charmm36 and POPC for membrane protein
>> simulation. and I am wondering where can I download charmm36
>> pre-pribriumed POPC PDB and topol file for gromacs?
>>
>> Thank you very much
>> Best
>>
>> --
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>>
>
>--
>Dr Thomas Piggot
>University of Southampton, UK.
>--
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</pre>