Re: [gmx-users] problem with making index.ndx

2012-01-31 Thread Justin A. Lemkul
Anushree Tripathi wrote: I am using gromacs 4.5.3 version.When I run the command (i.e., make_ndx -f em.gro -o index.ndx),It is not showing any option for DPPC group which I want to include.Please tell me how could I merge or create this option for proceeding to the next step of NVT

[gmx-users] problem with making index.ndx

2012-01-30 Thread Anushree Tripathi
I am using gromacs 4.5.3 version.When I run the command (i.e., make_ndx -f em.gro -o index.ndx),It is not showing any option for DPPC group which I want to include.Please tell me how could I merge or create this option for proceeding to the next step of NVT simulation. -- gmx-users mailing list

Re: [gmx-users] problem with making index.ndx

2012-01-30 Thread Mark Abraham
On 31/01/2012 6:26 PM, Anushree Tripathi wrote: I am using gromacs 4.5.3 version.When I run the command (i.e., make_ndx -f em.gro -o index.ndx),It is not showing any option for DPPC group which I want to include.Please tell me how could I merge or create this option for proceeding to the next

Re: [gmx-users] problem with making index.ndx

2012-01-30 Thread Kowsar Bagherzadeh
Is  DPPC a ligand or a compound ? From: Anushree Tripathi anushritripa...@gmail.com To: Discussion list for GROMACS users gmx-users@gromacs.org Sent: Tuesday, January 31, 2012 10:56 AM Subject: [gmx-users] problem with making index.ndx I am using gromacs