are right or wrong?
The files are shown in the attachment. Thank you very much !
Best regards,
Yong Liu
liuyong_1...@dicp.ac.cn
From: Erik Marklund
Date: 2014-11-14 19:24
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Flat-bottomed position restraint set
Dear Liuyoung,
Remember
30.0
#endif
; Include topology for ions
#include amber94.ff/ions.itp
[ system ]
; Name
Protein
[ molecules ]
; Compound#mols
Ion 1
SOL 250
liuyong_1...@dicp.ac.cn
From: liuyong_1...@dicp.ac.cn
Date: 2014-11-16 10:32
To: Discussion list for GROMACS users
Hi Justin!
I use the geometric center of the sphere as the reference coordinates. However,
there are still water molecules escaping to the vacuum. Is there other way to
aovid this ?
Best regards,
Yong Liu
liuyong_1...@dicp.ac.cn
From: Justin Lemkul
Date: 2014-11-12 21:54
To: gmx-users
nm. Is this set appropriate ?
Best regards,
Yong Liu
liuyong_1...@dicp.ac.cn
From: Justin Lemkul
Date: 2014-11-14 10:40
To: gmx-users
Subject: Re: [gmx-users] Flat-bottomed position restraint set
On 11/13/14 7:15 PM, liuyong_1...@dicp.ac.cn wrote:
Hi Justin!
I use the geometric center
be done with the restraints to avoid
the water molecules to escape to the vacuum?
Best regards,
Yong Liu
liuyong_1...@dicp.ac.cn
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Liu
liuyong_1...@dicp.ac.cn
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