<div style="font-family: 'Times New Roman'; font-size: 16px;">Dear GROMACS users,<br _moz_dirty="" />I wanted to do a test calculation on a linear unrealistic molecule PPPBC without any contributions to energy exept of LJ nonbenoded interactions. I have prepared a topol.top file which I am sending. After processing this file with grompp I obtained a message<br _moz_dirty="" /><br _moz_dirty="" />WARNING 1 [file topol.top, line 63]:<br _moz_dirty="" /> Too few parameters on line (source file confio.c, line 776)<br _moz_dirty="" /><br _moz_dirty="" />Line 63 is the last line of topol.top. I followed the manual and I am not able to fix the problem. Please could you have a look at this file and possibly to find out what is missing. Thank you in advance<br _moz_dirty="" />Zuzana<br _moz_dirty="" /><br _moz_dirty="" />[ defaults ]<br _moz_dirty="" />; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ<br _moz_dirty="" /> 1 2 yes 1.0 1.0<br _moz_dirty="" /><br _moz_dirty="" />[ atomtypes ]<br _moz_dirty="" />;at. type at.num mass charge ptype sigma epsilon<br _moz_dirty="" />P 1 1 0. A 1 1<br _moz_dirty="" />B 1 1 0. A 2 2<br _moz_dirty="" />C 1 1 0. A 3 1.5<br _moz_dirty="" /><br _moz_dirty="" />[ bondtypes ]<br _moz_dirty="" />; i j func b0 kb<br _moz_dirty="" />P P 1 1 0.<br _moz_dirty="" />P B 1 1 0.<br _moz_dirty="" />B C 1 1 0.<br _moz_dirty="" /><br _moz_dirty="" />[ angletypes ]<br _moz_dirty="" />; i j k func th0 cth<br _moz_dirty="" />P P P 1 0 0.<br _moz_dirty="" />P B C 1 0 0.<br _moz_dirty="" />P P B 1 0 0.<br _moz_dirty="" /><br _moz_dirty="" />[ dihedraltypes ]<br _moz_dirty="" />P P P B 1 0 0 1<br _moz_dirty="" />P P B C 1 0 0 1<br _moz_dirty="" /><br _moz_dirty="" />[ moleculetype ]<br _moz_dirty="" />; Name nrexcl<br _moz_dirty="" />Protein 3<br _moz_dirty="" /><br _moz_dirty="" />[ atoms ]<br _moz_dirty="" />; nr type resnr residue atom cgnr charge mass<br _moz_dirty="" />1 P 1 R P 1 0 1<br _moz_dirty="" />2 P 1 R P 1 0 1<br _moz_dirty="" />3 P 1 R P 1 0 1<br _moz_dirty="" />4 B 1 R B 1 0 1<br _moz_dirty="" />5 C 1 R C 1 0 1<br _moz_dirty="" /><br _moz_dirty="" />[ bonds ]<br _moz_dirty="" />; ai aj funct c0 c1 c2 c3<br _moz_dirty="" />1 2 1<br _moz_dirty="" />2 3 1<br _moz_dirty="" />3 4 1<br _moz_dirty="" />4 5 1<br _moz_dirty="" /><br _moz_dirty="" />[ angles ]<br _moz_dirty="" />; ai aj ak funct c0 c1 c2 c3<br _moz_dirty="" />1 2 3 1<br _moz_dirty="" />2 3 4 1<br _moz_dirty="" />3 4 5 1<br _moz_dirty="" /><br _moz_dirty="" />[ dihedrals ]<br _moz_dirty="" />; ai aj ak al funct<br _moz_dirty="" />1 2 3 4 1<br _moz_dirty="" />2 3 4 5 1<br _moz_dirty="" /><br _moz_dirty="" />[ system ]<br _moz_dirty="" />; Name<br _moz_dirty="" />Protein<br _moz_dirty="" /><br _moz_dirty="" />[ molecules ]<br _moz_dirty="" />; Compound #mols<br _moz_dirty="" />Protein 1<br _moz_dirty="" /><br _moz_dirty="" /><br /></div>