Re: [gmx-users] Topology parameters

2012-05-06 Thread Shima Arasteh
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

Re: [gmx-users] Topology parameters

2012-05-06 Thread Justin A. Lemkul
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

Re: [gmx-users] Topology parameters

2012-05-06 Thread Shima Arasteh
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

Re: [gmx-users] Topology parameters

2012-05-05 Thread Justin A. Lemkul
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

Re: [gmx-users] Topology parameters

2012-05-05 Thread Shima Arasteh
, 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

Re: [gmx-users] Topology parameters

2012-05-05 Thread Justin A. Lemkul
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