Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-16 Thread Tsjerk Wassenaar
du" ; Discussion list for GROMACS users > > Sent: Thursday, December 15, 2011 10:28 PM > > Subject: Re: [gmx-users] calculation of density for martini coarse-grained > > Thank you very much. > > Best Regards > > Sara > > > From:

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread mohammad agha
From: mohammad agha To: "jalem...@vt.edu" ; Discussion list for GROMACS users Sent: Thursday, December 15, 2011 10:28 PM Subject: Re: [gmx-users] calculation of density for martini coarse-grained Thank you very much. Best Reg

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread mohammad agha
Thank you very much. Best Regards Sara From: Justin A. Lemkul To: Discussion list for GROMACS users Sent: Thursday, December 15, 2011 10:02 PM Subject: Re: [gmx-users] calculation of density for martini coarse-grained mohammad agha wrote: > Thank

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread Justin A. Lemkul
*From:* Justin A. Lemkul *To:* mohammad agha ; Discussion list for GROMACS users *Sent:* Thursday, December 15, 2011 9:26 PM *Subject:* Re: [gmx-users] calculation of density for martini coarse-grained mohammad agha wrote: > Dear Prof. > > Thank you very much. > Excus

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread Justin A. Lemkul
lp me. Best Regards Sara *From:* Mark Abraham *To:* Discussion list for GROMACS users *Sent:* Thursday, December 15, 2011 6:31 PM *Subject:* Re: [gmx-users] calculation of density for martini coarse-grained On 16/12/2011 1:

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread mohammad agha
t: Re: [gmx-users] calculation of density for martini coarse-grained On 16/12/2011 1:36 AM, mohammad agha wrote: Dear Prof. > > >Thank you for your reply. >I'm really sorry for my mistake in writing the density!! my calculated density >become: 90.254026 gr/l while gromacs repo

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread mohammad agha
thanks for your reply. Best Regards Sara From: Mark Abraham To: Discussion list for GROMACS users Sent: Thursday, December 15, 2011 6:31 PM Subject: Re: [gmx-users] calculation of density for martini coarse-grained On 16/12/2011 1:36 AM, mohammad agha

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread Mark Abraham
Discussion list for GROMACS users *Sent:* Thursday, December 15, 2011 11:19 AM *Subject:* Re: [gmx-users] calculation of density for martini coarse-grained On 15/12/2011 5:59 PM, mohammad agha wrote: Dear Prof. May I ask you two questions, Please? 1- I work with MARTINI force field. I hav

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-15 Thread mohammad agha
OMACS users Sent: Thursday, December 15, 2011 11:19 AM Subject: Re: [gmx-users] calculation of density for martini coarse-grained On 15/12/2011 5:59 PM, mohammad agha wrote: Dear Prof. >May I ask you two questions, Please? >1- I work with MARTINI force field. I have a surfactant molecule

Re: [gmx-users] calculation of density for martini coarse-grained

2011-12-14 Thread Mark Abraham
On 15/12/2011 5:59 PM, mohammad agha wrote: Dear Prof. May I ask you two questions, Please? 1- I work with MARTINI force field. I have a surfactant molecule consists of 5 beads. After I placed 151 surfactants into my simulation box (cubic) with length of 10 nm, Gromacs reported: Volume = 100

[gmx-users] calculation of density for martini coarse-grained

2011-12-14 Thread mohammad agha
Dear Prof. May I ask you two questions, Please? 1- I work with MARTINI force field. I have a surfactant molecule consists of 5 beads. After I placed 151 surfactants into my simulation box (cubic) with length of 10 nm, Gromacs reported: Volume = 1000 nm3 Density = 15.8111 gr/l My volume is right