Re: [gmx-users] problem in g_membed

2013-07-02 Thread Justin Lemkul
On 7/2/13 8:38 PM, Pavithra wrote: Dear Sir, thanks for the reply. what is the solution for this problem? can I just increase the box size? if so how? Use editconf to set a new box size while retaining the coordinates of the current center. Then add water with genbox. how to change the s

[gmx-users] Re: gmx-users problem in g_membed Digest, Vol 111, Issue 8

2013-07-02 Thread Pavithra
gmx-users] problem in g_membed > To: Discussion list for GROMACS users > Message-ID: > m+j+uhm...@mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > On Tue, Jul 2, 2013 at 11:36 AM, Pavithra > wrote: > > > Dear gromacs users, > > >

Re: [gmx-users] problem in g_membed

2013-07-02 Thread Justin Lemkul
On Tue, Jul 2, 2013 at 11:36 AM, Pavithra wrote: > Dear gromacs users, > > I'm new to simulation. > I'm running a membrane protein simulation with gromacs and am following > KALP tutorial. > I skipped inflategro and used g_membed command to insert my protein complex > into POPE membrane. > I foll

[gmx-users] problem in g_membed

2013-07-02 Thread Pavithra
Dear gromacs users, I'm new to simulation. I'm running a membrane protein simulation with gromacs and am following KALP tutorial. I skipped inflategro and used g_membed command to insert my protein complex into POPE membrane. I followed the tutorial and got the work done but with a peculiar error.