Hi All,<br> I already had sent this email to the list. But since I attached some files to it, it is not sent to the list. It is under moderator approval. So I am sending this email without any attachment.<br> Currently I am working on DOPC membrane simulation. I have built the membrane in <a href="http://www.charmm-gui.org/" target="_blank">www.charmm-gui.org</a>
website. I am using Mark Abraham's charmm to gromacs script to convert
par_all27_prot_lipid.prm to charmmbon.itp and charmmnb.itp. When I
tried the script convert_charmm_to_gromacs.pl (version 1.2) on
par_all27_prot_lipid.prm I got the message "Sin of delta not zero, hope
this is the only dihedral of<br>
type X CS SS X<br> (sin delta = 0.00349065141522373).<br><br>I
found that ffcharmmnb.itp has only 40 line starting with Cs and ends
with HT. There are no entries for any atom types other than carbon<br>and hydrogen. Is it correct? Please someone shed light on it.<br>
I placed these *.itp files into the direcotry: /home/users/parimalk/software/<div id=":8y" class="ii gt">gromacs-4.0.5/share/gromacs/top. Then I executed the command: pdb2gmx_d -ff charmm -f step5_assembly.pdb -p topol.top to create the topology .<br>
<br>I got the error message : Program pdb2gmx_d, VERSION 4.0.5<br>Source code file: futil.c, line: 527<br><br>Fatal error:<br>Library file ffcharmm.rtp not found in current dir nor in default directories.<br>(You can set the directories to search with the GMXLIB path variable)<br>
<br>How can I get the ffcharmm.rtp file?? I was looking gromacs
archives and the link given there is not working now. Can someone help
me to fix this error and provide the *.rtp file?<br>Thanks<br>Chanchal<br></div>