[gmx-users] Invitation to connect on LinkedIn

LinkedIn Marco Miele requested to add you as a connection on LinkedIn: -- Chinmay, I'd like to add you to my professional network on LinkedIn. - Marco Accept invitation from Marco Miele http://www.linkedin.com/e/-85v1n9-gqw

[gmx-users] Re: gmx-users Digest, Vol 86, Issue 143

C temperatur setting > To: Discussion list for GROMACS users > Message-ID: <4e0217e2.2000...@vt.edu> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > > > marco miele wrote: > > Please heed this: > > > When replying, please edit your Subject

[gmx-users] Re: gmx-users Digest, Vol 86, Issue 138

9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > > > -- > > Message: 2 > Date: Wed, 22 Jun 2011 06:16:52 -0400 > From: "Justin A. Lemkul" > Subject: Re: [gmx-users

[gmx-users] DPPC temperatur setting

Hi everybody I am starting to analyze the membrane system composed with DPPC lipids, I saw both MD membrane paper and KALP-15 tutorial to setting a 323K. My question is That in this way we working around 50 C, which is not body temperature 37 C, this is not realistic approach, If my interest is to

[gmx-users] Re: gmx-users Digest, Vol 85, Issue 114

Today's Topics: > >   1. RE: "Command Not Found" (Natalie Stephenson) >   2. g_energy (Thomas Koller) >   3. QMMM+NMA (Yao Yao) >   4. compilation of g_hbond after bugfix (bipin singh) >   5. Re: compilation of g_hbond after bugfix (Mark Abraham) >   6. about side c

[gmx-users] about side chain and structure rifinement

Hi everyone My question is that I have a receptor protein modeled which have some problem with side chain angles, I would like to know if is good to apply OPLS ff in vacuum to improve the side chain in particularly and structure in general. what you suggest me. Cheer marco -- gmx-users mailing lis