IS the parameters for a residue in CHARMM36 and CHARMM27 the same?
Thanks in advance,
Shima
From: Justin A. Lemkul jalem...@vt.edu
To: Discussion list for GROMACS users gmx-users@gromacs.org
Sent: Saturday, May 5, 2012 9:16 PM
Subject: Re: [gmx-users
Thanks in advance,
Shima
*From:* Justin A. Lemkul jalem...@vt.edu
*To:* Discussion list for GROMACS users gmx-users@gromacs.org
*Sent:* Saturday, May 5, 2012 9:16 PM
*Subject:* Re: [gmx-users] Topology parameters
All right.
Thank you so much.
Shima
From: Justin A. Lemkul jalem...@vt.edu
To: Discussion list for GROMACS users gmx-users@gromacs.org
Sent: Sunday, May 6, 2012 11:32 PM
Subject: Re: [gmx-users] Topology parameters
On 5/6/12 2:36 PM, Shima Arasteh wrote
On 5/5/12 9:21 AM, Shima Arasteh wrote:
Dear gmx users,
I need to define a new residue topology ( Formyl ) in CHARMM27 force field. I
have the formyl parameters for GROMOS. I'd like to know if the residue
parameters are the same in different force fields?
Almost certainly not. Each force
, 2012 5:58 PM
Subject: Re: [gmx-users] Topology parameters
On 5/5/12 9:21 AM, Shima Arasteh wrote:
Dear gmx users,
I need to define a new residue topology ( Formyl ) in CHARMM27 force field. I
have the formyl parameters for GROMOS. I'd like to know if the residue
parameters are the same
On 5/5/12 11:39 AM, Shima Arasteh wrote:
Can I use CHARMM-GUI to get the formyl parameters for CHARMM36 and CHARMM27?
Maybe, try it and see. Swiss-Param might also be an option.
-Justin
--
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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