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Re: Transition from all27_prot_lipid to all36_lipid
rmv #24968 07/28/10 08:04 PM
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blubbi Offline OP
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Originally Posted By: rmv
Did you get the files from the MacKerell web site? I thought we'd fixed that OSP bug.


Yes, downloaded it today again cause I accidentally deleted the "conversion scripts" so I am sure it is from the MacKerell web site.

Originally Posted By: rmv
Just change the OSP to OSLP for those 2 phosphate O atoms in the old definitions of POPC and DOPC in the stream file.


Yep, I changed them already, but thought it would be of interest. But since I was tinkering with NAMD I was not shure if it was my fault or really a "BUG" shocked

Originally Posted By: rmv

The convenience of NAMD usage was not a consideration.

wink wink

Cheers
Bjoern

Last edited by blubbi; 07/28/10 08:23 PM.
Re: Transition from all27_prot_lipid to all36_lipid
blubbi #24969 07/28/10 08:19 PM
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If general interest to future readers was a concern, this probably should have been posted to the Parameter Set forum.


Rick Venable
computational chemist

Re: Transition from all27_prot_lipid to all36_lipid
rmv #24970 07/28/10 08:28 PM
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blubbi Offline OP
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Originally Posted By: rmv
If general interest to future readers was a concern, this probably should have been posted to the Parameter Set forum.


Right. But I guess you'll fix the downloadable files so it will no longer be an issue and since I ran into this issue within the context of this thread, I didn't think of creating a new thread in the appropriate forum. Sorry about that.

Cheers
Bjoern

Last edited by blubbi; 07/28/10 08:30 PM.
Re: Transition from all27_prot_lipid to all36_lipid
blubbi #24973 07/29/10 01:03 AM
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To be honest, with a topic of "Transition from all27_prot_lipid to all36_lipid" and an initial post about a script provided with the distributed all36_lipid parameters, I tend to think the whole thread probably belongs in the Parameter Set forum.

I can have it moved ...


Rick Venable
computational chemist

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