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<DIV><FONT face=Arial size=2>Please check your input file (ATP section)
and compare it with ffgmx.rtp topology file. It seems that You will
have to change the name of Your ATP atom PG to the name listed in ffgmx.rtp. If
You are not succesfull please try to reconstuct Your topology by calculationg a
new one . You can do it with <FONT color=#008000><A
href="http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html">http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html</A></FONT><FONT
color=#000000> ProdG server.</FONT></FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Good Luck </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Kamil</FONT></DIV>
<DIV> </DIV>
<DIV>----- Original Message ----- </DIV>
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<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=sreeyapu@rediffmail.com href="mailto:sreeyapu@rediffmail.com">SLN
Prasad Reddy</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=gmx-users@gromacs.org
href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Monday, April 26, 2004 4:24
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> Re: Re: [gmx-users] position
restraints</DIV>
<DIV><BR></DIV>
<P><BR> Hi ,<BR> I am trying to run gromacs on a
protein having ATP.I started simulation with a command "pdb2gmx" and it is
giving following error<BR><BR>Fatal error: Atom PG in residue ATP 250 not
found in rtp database<BR> while
sorting atoms
<BR>Please suggest me how to
overcome this. <BR><BR>Thank you<BR><BR>Prasad reddy </P><BR><BR><A
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