gt; Mark
>>
>>> ------------------------
>>> *From:* Mark Abraham
>>> *To:* Discussion list for GROMACS users
>>> *Sent:* Saturday, February 12, 2011 0:01:39
>>> *Subject:* Re: [gmx-users] doubts on g_con
ne is useful. Or you can chop apart the PDB
by hand in a text editor.
Mark
*From:* Mark Abraham
*To:* Discussion list for GROMACS users
*Sent:* Saturday, February 12, 2011 0:01:39
*Subject:* Re: [gmx-users] doubts on g_confrms o
On 12/02/2011 7:07 PM, Tsjerk Wassenaar wrote:
Hi,
The error message says the number of atoms in the first frame is not
what was expected. That indicates the reference structure didn't
match, which suggests the pdb file with the fitted structures wasn't
used as reference. Solution: give the
Hi,
The error message says the number of atoms in the first frame is not what
was expected. That indicates the reference structure didn't match, which
suggests the pdb file with the fitted structures wasn't used as reference.
Solution: give the fitted structures both as reference (-s) and as
traje
hand in a text editor.
Mark
*From:* Mark Abraham
*To:* Discussion list for GROMACS users
*Sent:* Saturday, February 12, 2011 0:01:39
*Subject:* Re: [gmx-users] doubts on g_confrms output
On 12/02/2011 2:55 AM, Kwee
erk Wassenaar
>To: Discussion list for GROMACS users
>Sent: Saturday, January 22, 2011 15:53:22
>Subject: Re: [gmx-users] doubts on g_confrms output
>
>
>Hi Joyce,
>In pymol use 'set all_states'
>Cheers,
>Tsjerk
>On Jan 22, 2011 8:30 AM, "Kwee Hong"
Wassenaar
*To:* Discussion list for GROMACS users
*Sent:* Saturday, January 22, 2011 15:53:22
*Subject:* Re: [gmx-users] doubts on g_confrms output
Hi Joyce,
In pymol use 'set all_states'
Cheers,
Tsjerk
On Jan 22, 2011 8:30 AM, "Kwee Hong" <mailto:jestan1...@yahoo.co
Hi Tsjerk,
Thanks for the help. I got it.
But do you have any idea how to solve this in vmd?
Regards,
Joyce
From: Tsjerk Wassenaar
To: Discussion list for GROMACS users
Sent: Saturday, January 22, 2011 15:53:22
Subject: Re: [gmx-users] doubts on g_confrms
Hi Joyce,
In pymol use 'set all_states'
Cheers,
Tsjerk
On Jan 22, 2011 8:30 AM, "Kwee Hong" wrote:
Hi,
I was trying to do some analysis following John's "GROMACS tutorial for
solvation study of spider toxin peptide".
I'm using GROMACS-4.5.3 and my command line for g_confrms is
g_confrms -f1
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