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On 24/01/2012 8:58 PM, Anik Sen wrote:
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<div style="direction: ltr; font-family: Tahoma; color: rgb(0, 0,
0); font-size: 10pt;">Thanx Mark.<br>
I understand that I have to change the
residue names. But how to generate them. Is there any software
by which I can generate or any sequence by which I may change
them..<br>
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Only your text editor. Wherever you got your coordinates from either
had the residue names and you lost them, or it never had them at
all. You may wish to reconsider your source.<br>
<br>
Mark<br>
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<div style="direction: ltr;" id="divRpF741461"><font size="2"
color="#000000" face="Tahoma"><b>From:</b>
<a class="moz-txt-link-abbreviated" href="mailto:gmx-users-bounces@gromacs.org">gmx-users-bounces@gromacs.org</a>
[<a class="moz-txt-link-abbreviated" href="mailto:gmx-users-bounces@gromacs.org">gmx-users-bounces@gromacs.org</a>] on behalf of Mark Abraham
[<a class="moz-txt-link-abbreviated" href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>]<br>
<b>Sent:</b> Tuesday, January 24, 2012 3:19 PM<br>
<b>To:</b> Discussion list for GROMACS users<br>
<b>Subject:</b> Re: [gmx-users] a query<br>
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<div>On 24/01/2012 8:32 PM, Anik Sen wrote:
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Hello Anik here.<br>
<br>
I think its a silly question but, could not stop to ask
as its between me and my gromacs job.<br>
I am using gromacs 4.5.5. I want to run a dynamics run
with DNA. I made a pdb file from vmd software. But the
residue file its showing is "MOL". There is no residue
type named mol. So what will be the residue files for
DNA. Please suggest.<br>
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Your input to pdb2gmx needs to use residue names that match
the .rtp file for your force field. Either generate it with
them, or edit them in afterwards.<br>
<br>
Mark<br>
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